hexadec-3-ene-1,2-diamine

C16H34N2 — CID 54476835

IUPAChexadec-3-ene-1,2-diamine
SMILESCCCCCCCCCCCCC=CC(N)CN
InChIInChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h13-14,16H,2-12,15,17-18H2,1H3
InChIKeyXMEIGYWFUVYHQR-UHFFFAOYSA-N
MW254.46 g/mol
LogP4.14
Rot. Bonds13

About hexadec-3-ene-1,2-diamine

hexadec-3-ene-1,2-diamine (PubChem CID 54476835) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is hexadec-3-ene-1,2-diamine.

Molecular Properties

Compound Namehexadec-3-ene-1,2-diamine
PubChem CID54476835
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Namehexadec-3-ene-1,2-diamine
SMILESCCCCCCCCCCCCC=CC(N)CN
InChIInChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h13-14,16H,2-12,15,17-18H2,1H3
InChIKeyXMEIGYWFUVYHQR-UHFFFAOYSA-N
XLogP4.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexadec-3-ene-1,2-diamine?
The IUPAC name of hexadec-3-ene-1,2-diamine (CID 54476835) is hexadec-3-ene-1,2-diamine.
What is the SMILES notation for hexadec-3-ene-1,2-diamine?
The canonical SMILES for hexadec-3-ene-1,2-diamine is CCCCCCCCCCCCC=CC(N)CN.
What is the InChIKey of hexadec-3-ene-1,2-diamine?
The InChIKey is XMEIGYWFUVYHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h13-14,16H,2-12,15,17-18H2,1H3.
What are the key properties of hexadec-3-ene-1,2-diamine?
hexadec-3-ene-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 4.14, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-3-ene-1,2-diamine is sourced from PubChem (CID 54476835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).