1-N-tetradecylhexane-1,2,6-triamine

C20H45N3 — CID 10520292

IUPAC1-N-tetradecylhexane-1,2,6-triamine
SMILESCCCCCCCCCCCCCCNCC(N)CCCCN
InChIInChI=1S/C20H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-19-20(22)16-13-14-17-21/h20,23H,2-19,21-22H2,1H3
InChIKeyWVHHFNFSRWCZMU-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.73
Rot. Bonds19

About 1-N-tetradecylhexane-1,2,6-triamine

1-N-tetradecylhexane-1,2,6-triamine (PubChem CID 10520292) has the molecular formula C20H45N3 and a molecular weight of 327.60 g/mol. Its IUPAC name is 1-N-tetradecylhexane-1,2,6-triamine.

Molecular Properties

Compound Name1-N-tetradecylhexane-1,2,6-triamine
PubChem CID10520292
Molecular FormulaC20H45N3
Molecular Weight327.60 g/mol
Exact Mass327.36
IUPAC Name1-N-tetradecylhexane-1,2,6-triamine
SMILESCCCCCCCCCCCCCCNCC(N)CCCCN
InChIInChI=1S/C20H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-19-20(22)16-13-14-17-21/h20,23H,2-19,21-22H2,1H3
InChIKeyWVHHFNFSRWCZMU-UHFFFAOYSA-N
XLogP4.73
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 3094
Bis(8-aminooctyl)amine
CID 10199351
Ditridecylamine
CID 22200
N1-Octadecyl-1,3-propanediamine
CID 77931
Didodecylamine
CID 18157
1,2-Ethanediamine, N-(2-aminoethyl)-N'-dodecyl-
CID 77291
Dimyristylamine
CID 87077
Didecylamine
CID 14261
N-(2-piperazin-1-ylethyl)cyclododecanamine
CID 921367
N-dodecylethylenediamine
CID 10561362
1-N-dodecylbutane-1,2,4-triamine
CID 10588206
Piperidine, 2-methyl-6-undecyl-
CID 99090

Frequently Asked Questions

What is the IUPAC name of 1-N-tetradecylhexane-1,2,6-triamine?
The IUPAC name of 1-N-tetradecylhexane-1,2,6-triamine (CID 10520292) is 1-N-tetradecylhexane-1,2,6-triamine.
What is the SMILES notation for 1-N-tetradecylhexane-1,2,6-triamine?
The canonical SMILES for 1-N-tetradecylhexane-1,2,6-triamine is CCCCCCCCCCCCCCNCC(N)CCCCN.
What is the InChIKey of 1-N-tetradecylhexane-1,2,6-triamine?
The InChIKey is WVHHFNFSRWCZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-19-20(22)16-13-14-17-21/h20,23H,2-19,21-22H2,1H3.
What are the key properties of 1-N-tetradecylhexane-1,2,6-triamine?
1-N-tetradecylhexane-1,2,6-triamine has a molecular weight of 327.60 g/mol, XLogP of 4.73, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tetradecylhexane-1,2,6-triamine is sourced from PubChem (CID 10520292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).