(E)-octadec-9-en-1-amine;hydrofluoride

C18H38FN — CID 6436136

IUPAC(E)-octadec-9-en-1-amine;hydrofluoride
SMILESCCCCCCCC/C=C/CCCCCCCCN.F
InChIInChI=1S/C18H37N.FH/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+;
InChIKeyQGSCPWWHMSCFOV-RRABGKBLSA-N
MW287.51 g/mol
LogP6.14
Rot. Bonds15

About (E)-octadec-9-en-1-amine;hydrofluoride

(E)-octadec-9-en-1-amine;hydrofluoride (PubChem CID 6436136) has the molecular formula C18H38FN and a molecular weight of 287.51 g/mol. Its IUPAC name is (E)-octadec-9-en-1-amine;hydrofluoride.

Molecular Properties

Compound Name(E)-octadec-9-en-1-amine;hydrofluoride
PubChem CID6436136
Molecular FormulaC18H38FN
Molecular Weight287.51 g/mol
Exact Mass287.30
IUPAC Name(E)-octadec-9-en-1-amine;hydrofluoride
SMILESCCCCCCCC/C=C/CCCCCCCCN.F
InChIInChI=1S/C18H37N.FH/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+;
InChIKeyQGSCPWWHMSCFOV-RRABGKBLSA-N
XLogP6.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.51
LogP ≤ 56.14
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 (E)-octadec-9-en-1-amine;hydrofluoride?
The IUPAC name of (E)-octadec-9-en-1-amine;hydrofluoride (CID 6436136) is (E)-octadec-9-en-1-amine;hydrofluoride.
What is the SMILES notation for (E)-octadec-9-en-1-amine;hydrofluoride?
The canonical SMILES for (E)-octadec-9-en-1-amine;hydrofluoride is CCCCCCCC/C=C/CCCCCCCCN.F.
What is the InChIKey of (E)-octadec-9-en-1-amine;hydrofluoride?
The InChIKey is QGSCPWWHMSCFOV-RRABGKBLSA-N. The full InChI is InChI=1S/C18H37N.FH/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 (E)-octadec-9-en-1-amine;hydrofluoride?
(E)-octadec-9-en-1-amine;hydrofluoride has a molecular weight of 287.51 g/mol, XLogP of 6.14, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-octadec-9-en-1-amine;hydrofluoride is sourced from PubChem (CID 6436136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).