(Z)-octadec-9-en-1-amine

C18H37N — CID 5356789

IUPAC(Z)-octadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3/b10-9-
InChIKeyQGLWBTPVKHMVHM-KTKRTIGZSA-N
MW267.50 g/mol
LogP5.98
Rot. Bonds15

About (Z)-octadec-9-en-1-amine

(Z)-octadec-9-en-1-amine (PubChem CID 5356789) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is (Z)-octadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-octadec-9-en-1-amine
PubChem CID5356789
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name(Z)-octadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3/b10-9-
InChIKeyQGLWBTPVKHMVHM-KTKRTIGZSA-N
XLogP5.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-en-1-amine?
The IUPAC name of (Z)-octadec-9-en-1-amine (CID 5356789) is (Z)-octadec-9-en-1-amine.
What is the SMILES notation for (Z)-octadec-9-en-1-amine?
The canonical SMILES for (Z)-octadec-9-en-1-amine is CCCCCCCC/C=C\CCCCCCCCN.
What is the InChIKey of (Z)-octadec-9-en-1-amine?
The InChIKey is QGLWBTPVKHMVHM-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3/b10-9-.
What are the key properties of (Z)-octadec-9-en-1-amine?
(Z)-octadec-9-en-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.98, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-en-1-amine is sourced from PubChem (CID 5356789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).