heptadecane-1,3,3-triamine

C17H39N3 — CID 88794313

IUPACheptadecane-1,3,3-triamine
SMILESCCCCCCCCCCCCCCC(N)(N)CCN
InChIInChI=1S/C17H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19,20)15-16-18/h2-16,18-20H2,1H3
InChIKeyLFRWEYDMIVGVDU-UHFFFAOYSA-N
MW285.52 g/mol
LogP4.04
Rot. Bonds15

About heptadecane-1,3,3-triamine

heptadecane-1,3,3-triamine (PubChem CID 88794313) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is heptadecane-1,3,3-triamine.

Molecular Properties

Compound Nameheptadecane-1,3,3-triamine
PubChem CID88794313
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC Nameheptadecane-1,3,3-triamine
SMILESCCCCCCCCCCCCCCC(N)(N)CCN
InChIInChI=1S/C17H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19,20)15-16-18/h2-16,18-20H2,1H3
InChIKeyLFRWEYDMIVGVDU-UHFFFAOYSA-N
XLogP4.04
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tetracosane-6,6-diamine
CID 154005419
tetracosane-4,4-diamine
CID 141059661
4-pentadecylheptane-1,4,7-triamine
CID 156536321
3,3-dimethylpentadecan-1-amine
CID 81014127
3-ethyloctane-1,3-diamine
CID 91122286
11-decylhenicosan-11-amine
CID 19847882
nonane-1,1,1-triamine
CID 18954154
4,4-dimethyltridecan-1-amine
CID 172686024
2-octyldecane-1,2-diamine
CID 88831195
4,4-diaminododecanoic acid
CID 175505088
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035

Frequently Asked Questions

What is the IUPAC name of heptadecane-1,3,3-triamine?
The IUPAC name of heptadecane-1,3,3-triamine (CID 88794313) is heptadecane-1,3,3-triamine.
What is the SMILES notation for heptadecane-1,3,3-triamine?
The canonical SMILES for heptadecane-1,3,3-triamine is CCCCCCCCCCCCCCC(N)(N)CCN.
What is the InChIKey of heptadecane-1,3,3-triamine?
The InChIKey is LFRWEYDMIVGVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19,20)15-16-18/h2-16,18-20H2,1H3.
What are the key properties of heptadecane-1,3,3-triamine?
heptadecane-1,3,3-triamine has a molecular weight of 285.52 g/mol, XLogP of 4.04, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecane-1,3,3-triamine is sourced from PubChem (CID 88794313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).