hexadec-1-ene-1,1,2-triamine

C16H35N3 — CID 175489585

IUPAChexadec-1-ene-1,1,2-triamine
SMILESCCCCCCCCCCCCCCC(N)=C(N)N
InChIInChI=1S/C16H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h2-14,17-19H2,1H3
InChIKeyDWVHATJMWODBLW-UHFFFAOYSA-N
MW269.48 g/mol
LogP4.12
Rot. Bonds13

About hexadec-1-ene-1,1,2-triamine

hexadec-1-ene-1,1,2-triamine (PubChem CID 175489585) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is hexadec-1-ene-1,1,2-triamine.

Molecular Properties

Compound Namehexadec-1-ene-1,1,2-triamine
PubChem CID175489585
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Namehexadec-1-ene-1,1,2-triamine
SMILESCCCCCCCCCCCCCCC(N)=C(N)N
InChIInChI=1S/C16H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h2-14,17-19H2,1H3
InChIKeyDWVHATJMWODBLW-UHFFFAOYSA-N
XLogP4.12
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 54.12
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

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
2-ethylideneoctadecanamide
CID 141119567
dec-2-en-3-amine
CID 154268798
(Z)-nonadec-2-en-3-amine
CID 139654417
3-methyloctadec-2-en-2-amine
CID 87741791
ethanol;tridecanamide
CID 174935457
9,10-dioctyloctadec-9-ene
CID 10814462

Frequently Asked Questions

What is the IUPAC name of hexadec-1-ene-1,1,2-triamine?
The IUPAC name of hexadec-1-ene-1,1,2-triamine (CID 175489585) is hexadec-1-ene-1,1,2-triamine.
What is the SMILES notation for hexadec-1-ene-1,1,2-triamine?
The canonical SMILES for hexadec-1-ene-1,1,2-triamine is CCCCCCCCCCCCCCC(N)=C(N)N.
What is the InChIKey of hexadec-1-ene-1,1,2-triamine?
The InChIKey is DWVHATJMWODBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h2-14,17-19H2,1H3.
What are the key properties of hexadec-1-ene-1,1,2-triamine?
hexadec-1-ene-1,1,2-triamine has a molecular weight of 269.48 g/mol, XLogP of 4.12, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-1-ene-1,1,2-triamine is sourced from PubChem (CID 175489585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).