(E)-2-ethyloctadec-9-en-1-amine

C20H41N — CID 87547225

IUPAC(E)-2-ethyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C/CCCCCCC(CC)CN
InChIInChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4-2)19-21/h11-12,20H,3-10,13-19,21H2,1-2H3/b12-11+
InChIKeyIKAZHKOCDKUTID-VAWYXSNFSA-N
MW295.56 g/mol
LogP6.62
Rot. Bonds16

About (E)-2-ethyloctadec-9-en-1-amine

(E)-2-ethyloctadec-9-en-1-amine (PubChem CID 87547225) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is (E)-2-ethyloctadec-9-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyloctadec-9-en-1-amine
PubChem CID87547225
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name(E)-2-ethyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C/CCCCCCC(CC)CN
InChIInChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4-2)19-21/h11-12,20H,3-10,13-19,21H2,1-2H3/b12-11+
InChIKeyIKAZHKOCDKUTID-VAWYXSNFSA-N
XLogP6.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.62
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'}

Analyze (E)-2-ethyloctadec-9-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyloctadec-9-en-1-amine?
The IUPAC name of (E)-2-ethyloctadec-9-en-1-amine (CID 87547225) is (E)-2-ethyloctadec-9-en-1-amine.
What is the SMILES notation for (E)-2-ethyloctadec-9-en-1-amine?
The canonical SMILES for (E)-2-ethyloctadec-9-en-1-amine is CCCCCCCC/C=C/CCCCCCC(CC)CN.
What is the InChIKey of (E)-2-ethyloctadec-9-en-1-amine?
The InChIKey is IKAZHKOCDKUTID-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4-2)19-21/h11-12,20H,3-10,13-19,21H2,1-2H3/b12-11+.
What are the key properties of (E)-2-ethyloctadec-9-en-1-amine?
(E)-2-ethyloctadec-9-en-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.62, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyloctadec-9-en-1-amine is sourced from PubChem (CID 87547225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).