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

C18H38ClN — CID 20837960

IUPAC(Z)-octadec-9-en-1-amine;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCN.Cl
InChIInChI=1S/C18H37N.ClH/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;1H/b10-9-;
InChIKeyLPJKDVHMUUZHRY-KVVVOXFISA-N
MW303.96 g/mol
LogP6.40
Rot. Bonds15

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

(Z)-octadec-9-en-1-amine;hydrochloride (PubChem CID 20837960) has the molecular formula C18H38ClN and a molecular weight of 303.96 g/mol. Its IUPAC name is (Z)-octadec-9-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-octadec-9-en-1-amine;hydrochloride
PubChem CID20837960
Molecular FormulaC18H38ClN
Molecular Weight303.96 g/mol
Exact Mass303.27
IUPAC Name(Z)-octadec-9-en-1-amine;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCCN.Cl
InChIInChI=1S/C18H37N.ClH/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;1H/b10-9-;
InChIKeyLPJKDVHMUUZHRY-KVVVOXFISA-N
XLogP6.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.96
LogP ≤ 56.40
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;hydrochloride?
The IUPAC name of (Z)-octadec-9-en-1-amine;hydrochloride (CID 20837960) is (Z)-octadec-9-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-octadec-9-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-octadec-9-en-1-amine;hydrochloride is CCCCCCCC/C=C\CCCCCCCCN.Cl.
What is the InChIKey of (Z)-octadec-9-en-1-amine;hydrochloride?
The InChIKey is LPJKDVHMUUZHRY-KVVVOXFISA-N. The full InChI is InChI=1S/C18H37N.ClH/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;1H/b10-9-;.
What are the key properties of (Z)-octadec-9-en-1-amine;hydrochloride?
(Z)-octadec-9-en-1-amine;hydrochloride has a molecular weight of 303.96 g/mol, XLogP of 6.40, 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;hydrochloride is sourced from PubChem (CID 20837960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).