octadec-1-en-1-amine

C18H37N — CID 3015223

IUPACoctadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCCC=CN
InChIInChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h17-18H,2-16,19H2,1H3
InChIKeyWGNKXCMZCXHUHX-UHFFFAOYSA-N
MW267.50 g/mol
LogP6.33
Rot. Bonds15

About octadec-1-en-1-amine

octadec-1-en-1-amine (PubChem CID 3015223) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is octadec-1-en-1-amine.

Molecular Properties

Compound Nameoctadec-1-en-1-amine
PubChem CID3015223
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Nameoctadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCCC=CN
InChIInChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h17-18H,2-16,19H2,1H3
InChIKeyWGNKXCMZCXHUHX-UHFFFAOYSA-N
XLogP6.33
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 ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of octadec-1-en-1-amine?
The IUPAC name of octadec-1-en-1-amine (CID 3015223) is octadec-1-en-1-amine.
What is the SMILES notation for octadec-1-en-1-amine?
The canonical SMILES for octadec-1-en-1-amine is CCCCCCCCCCCCCCCCC=CN.
What is the InChIKey of octadec-1-en-1-amine?
The InChIKey is WGNKXCMZCXHUHX-UHFFFAOYSA-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/h17-18H,2-16,19H2,1H3.
What are the key properties of octadec-1-en-1-amine?
octadec-1-en-1-amine has a molecular weight of 267.50 g/mol, XLogP of 6.33, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-1-en-1-amine is sourced from PubChem (CID 3015223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).