N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine

C23H50N2 — CID 19837420

IUPACN,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
SMILESCCCCCCCCCCCCCCN(CC)CCCN(CC)CC
InChIInChI=1S/C23H50N2/c1-5-9-10-11-12-13-14-15-16-17-18-19-21-25(8-4)23-20-22-24(6-2)7-3/h5-23H2,1-4H3
InChIKeyWFJTXHZBAHUEJK-UHFFFAOYSA-N
MW354.67 g/mol
LogP6.74
Rot. Bonds20

About N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine

N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine (PubChem CID 19837420) has the molecular formula C23H50N2 and a molecular weight of 354.67 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
PubChem CID19837420
Molecular FormulaC23H50N2
Molecular Weight354.67 g/mol
Exact Mass354.40
IUPAC NameN,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
SMILESCCCCCCCCCCCCCCN(CC)CCCN(CC)CC
InChIInChI=1S/C23H50N2/c1-5-9-10-11-12-13-14-15-16-17-18-19-21-25(8-4)23-20-22-24(6-2)7-3/h5-23H2,1-4H3
InChIKeyWFJTXHZBAHUEJK-UHFFFAOYSA-N
XLogP6.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.67
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
N-ethyl-N-propyldecan-1-amine
CID 56933807
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N'-[3-[3-[butyl(ethyl)amino]propyl-ethylamino]propyl]-N,N'-dimethyl-N-[3-[methyl(octyl)amino]propyl]butane-1,4-diamine
CID 91145373
N-(2-chloroethyl)-N-ethylhexadecan-1-amine
CID 88604159
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
N-(2-chloroethyl)-N-ethylheptan-1-amine
CID 63386883
2-[ethyl(nonyl)amino]ethanol
CID 62021397
N,N-dipentyltridecan-1-amine
CID 139723521
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine?
The IUPAC name of N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine (CID 19837420) is N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine is CCCCCCCCCCCCCCN(CC)CCCN(CC)CC.
What is the InChIKey of N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine?
The InChIKey is WFJTXHZBAHUEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2/c1-5-9-10-11-12-13-14-15-16-17-18-19-21-25(8-4)23-20-22-24(6-2)7-3/h5-23H2,1-4H3.
What are the key properties of N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine?
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine has a molecular weight of 354.67 g/mol, XLogP of 6.74, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine is sourced from PubChem (CID 19837420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).