NPs Basic Information

Name
N,N-Dimethyltetradecylamine
Molecular Formula C16H35N
IUPAC Name*
N,N-dimethyltetradecan-1-amine
SMILES
CCCCCCCCCCCCCCN(C)C
InChI
InChI=1S/C16H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h4-16H2,1-3H3
InChIKey
SFBHPFQSSDCYSL-UHFFFAOYSA-N
Synonyms
N,N-Dimethyltetradecylamine; 112-75-4; N,N-dimethyltetradecan-1-amine; N,N-Dimethylmyristylamine; DIMETHYL MYRISTAMINE; 1-Tetradecanamine, N,N-dimethyl-; Tetradecyldimethylamine; 1-(Dimethylamino)tetradecane; Dimethyltetradecylamine; Dimethylmyristamine; Dimethylmyristylamine; Myristyldimethylamine; Dimethyl(tetradecyl)amine; N,N-Dimethyl-N-tetradecylamine; Armeen DM 14D; Tetradecylamine, N,N-dimethyl-; Dimethyl-n-tetradecylamine; N,N-Dimethyl-1-tetradecanamine; N,N-Dimethyltetradecanamine; Myristyl dimethyl amine; Genamin 14R302D; Adma 14; IPL 30; NSC 78319; Armine DM14D; tetradecyl dimethylamine; 5E4O85D8T2; NSC-78319; Dimethyl myristylamine; HSDB 2785; N-Tetradecyldimethylamine; EINECS 204-002-4; UNII-5E4O85D8T2; 1-Tetradecanamine, N,N-dimethyly-; Onamine 14; dimethyl-tetradecyl-amine; BARLENE 14S; N,N-dimethyltetradecylamin; BARLENE 14; DSSTox_CID_6927; EC 204-002-4; Tetradecylamine,N-dimethyl-; DSSTox_RID_78258; DSSTox_GSID_26927; dimethylmono-n-tetradecylamine; SCHEMBL108754; 1-Tetradecanamine,N-dimethyl-; N-tetradecyl-N,N-dimethylamine; CHEMBL1886777; DTXSID4026927; N,N-dimethyl-N-tetradecyl amine; N,N-Dimethyl-1-tetradecanamine #; DIMETHYL MYRISTAMINE [HSDB]; DIMETHYL MYRISTAMINE [INCI]; NSC78319; Tox21_202738; MFCD00053736; ZINC38141464; AKOS015914872; NCGC00164288-01; NCGC00260286-01; AS-80853; CAS-112-75-4; CS-0196512; D1844; FT-0629561; F71248; A802644; W-109418; Q24817433; N,N-Dimethyltetradecylamine, technical, >=95% (GC/NT)
CAS 112-75-4
PubChem CID 8211
ChEMBL ID CHEMBL1886777
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Organic nitrogen compound
      • Class: Organonitrogen compounds
        • Subclass: Amines
          • Direct Parent: Trialkylamines

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

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NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

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NPs Physi-Chem Properties

Molecular Weight: 241.46 ALogp: 6.9
HBD: 0 HBA: 1
Rotatable Bonds: 13 Lipinski's rule of five: Rejected
Polar Surface Area: 3.2 Aromatic Rings: 0
Heavy Atoms: 17 QED Weighted: 0.384

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -4.667 MDCK Permeability: 0.00000919
Pgp-inhibitor: 0.005 Pgp-substrate: 0.003
Human Intestinal Absorption (HIA): 0.004 20% Bioavailability (F20%): 0.241
30% Bioavailability (F30%): 0.987

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.85 Plasma Protein Binding (PPB): 86.66%
Volume Distribution (VD): 1.624 Fu: 7.62%

ADMET: Metabolism

CYP1A2-inhibitor: 0.288 CYP1A2-substrate: 0.747
CYP2C19-inhibitor: 0.169 CYP2C19-substrate: 0.984
CYP2C9-inhibitor: 0.03 CYP2C9-substrate: 0.664
CYP2D6-inhibitor: 0.951 CYP2D6-substrate: 0.909
CYP3A4-inhibitor: 0.09 CYP3A4-substrate: 0.23

ADMET: Excretion

Clearance (CL): 6.261 Half-life (T1/2): 0.081

ADMET: Toxicity

hERG Blockers: 0.402 Human Hepatotoxicity (H-HT): 0.075
Drug-inuced Liver Injury (DILI): 0.202 AMES Toxicity: 0.006
Rat Oral Acute Toxicity: 0.638 Maximum Recommended Daily Dose: 0.033
Skin Sensitization: 0.951 Carcinogencity: 0.062
Eye Corrosion: 0.998 Eye Irritation: 0.773
Respiratory Toxicity: 0.973
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

*Note: the compound similarity was calculated by RDKIT.