octadec-10-en-2-amine

C18H37N — CID 91551695

IUPACoctadec-10-en-2-amine
SMILESCCCCCCCC=CCCCCCCCC(C)N
InChIInChI=1S/C18H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h9-10,18H,3-8,11-17,19H2,1-2H3
InChIKeyLPHJMPBNYBOQCC-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.98
Rot. Bonds14

About octadec-10-en-2-amine

octadec-10-en-2-amine (PubChem CID 91551695) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is octadec-10-en-2-amine.

Molecular Properties

Compound Nameoctadec-10-en-2-amine
PubChem CID91551695
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Nameoctadec-10-en-2-amine
SMILESCCCCCCCC=CCCCCCCCC(C)N
InChIInChI=1S/C18H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h9-10,18H,3-8,11-17,19H2,1-2H3
InChIKeyLPHJMPBNYBOQCC-UHFFFAOYSA-N
XLogP5.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
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 octadec-10-en-2-amine?
The IUPAC name of octadec-10-en-2-amine (CID 91551695) is octadec-10-en-2-amine.
What is the SMILES notation for octadec-10-en-2-amine?
The canonical SMILES for octadec-10-en-2-amine is CCCCCCCC=CCCCCCCCC(C)N.
What is the InChIKey of octadec-10-en-2-amine?
The InChIKey is LPHJMPBNYBOQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h9-10,18H,3-8,11-17,19H2,1-2H3.
What are the key properties of octadec-10-en-2-amine?
octadec-10-en-2-amine has a molecular weight of 267.50 g/mol, XLogP of 5.98, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-10-en-2-amine is sourced from PubChem (CID 91551695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).