(Z)-octadec-9-ene-1,17-diamine

C18H38N2 — CID 12018353

IUPAC(Z)-octadec-9-ene-1,17-diamine
SMILESCC(N)CCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C18H38N2/c1-18(20)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19/h2,4,18H,3,5-17,19-20H2,1H3/b4-2-
InChIKeyQQBIZOLJXFSVIO-RQOWECAXSA-N
MW282.52 g/mol
LogP4.92
Rot. Bonds15

About (Z)-octadec-9-ene-1,17-diamine

(Z)-octadec-9-ene-1,17-diamine (PubChem CID 12018353) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is (Z)-octadec-9-ene-1,17-diamine.

Molecular Properties

Compound Name(Z)-octadec-9-ene-1,17-diamine
PubChem CID12018353
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name(Z)-octadec-9-ene-1,17-diamine
SMILESCC(N)CCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C18H38N2/c1-18(20)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19/h2,4,18H,3,5-17,19-20H2,1H3/b4-2-
InChIKeyQQBIZOLJXFSVIO-RQOWECAXSA-N
XLogP4.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.92
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 (Z)-octadec-9-ene-1,17-diamine?
The IUPAC name of (Z)-octadec-9-ene-1,17-diamine (CID 12018353) is (Z)-octadec-9-ene-1,17-diamine.
What is the SMILES notation for (Z)-octadec-9-ene-1,17-diamine?
The canonical SMILES for (Z)-octadec-9-ene-1,17-diamine is CC(N)CCCCCC/C=C\CCCCCCCCN.
What is the InChIKey of (Z)-octadec-9-ene-1,17-diamine?
The InChIKey is QQBIZOLJXFSVIO-RQOWECAXSA-N. The full InChI is InChI=1S/C18H38N2/c1-18(20)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19/h2,4,18H,3,5-17,19-20H2,1H3/b4-2-.
What are the key properties of (Z)-octadec-9-ene-1,17-diamine?
(Z)-octadec-9-ene-1,17-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.92, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-ene-1,17-diamine is sourced from PubChem (CID 12018353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).