3-[(Z)-octadec-9-enoxy]propan-1-amine

C21H43NO — CID 87319460

IUPAC3-[(Z)-octadec-9-enoxy]propan-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCOCCCN
InChIInChI=1S/C21H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10H,2-8,11-22H2,1H3/b10-9-
InChIKeyWLEVCAPGVKRUIK-KTKRTIGZSA-N
MW325.58 g/mol
LogP6.39
Rot. Bonds19

About 3-[(Z)-octadec-9-enoxy]propan-1-amine

3-[(Z)-octadec-9-enoxy]propan-1-amine (PubChem CID 87319460) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 3-[(Z)-octadec-9-enoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(Z)-octadec-9-enoxy]propan-1-amine
PubChem CID87319460
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name3-[(Z)-octadec-9-enoxy]propan-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCOCCCN
InChIInChI=1S/C21H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10H,2-8,11-22H2,1H3/b10-9-
InChIKeyWLEVCAPGVKRUIK-KTKRTIGZSA-N
XLogP6.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(Z)-octadec-9-enoxy]propan-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 3-[(Z)-octadec-9-enoxy]propan-1-amine?
The IUPAC name of 3-[(Z)-octadec-9-enoxy]propan-1-amine (CID 87319460) is 3-[(Z)-octadec-9-enoxy]propan-1-amine.
What is the SMILES notation for 3-[(Z)-octadec-9-enoxy]propan-1-amine?
The canonical SMILES for 3-[(Z)-octadec-9-enoxy]propan-1-amine is CCCCCCCC/C=C\CCCCCCCCOCCCN.
What is the InChIKey of 3-[(Z)-octadec-9-enoxy]propan-1-amine?
The InChIKey is WLEVCAPGVKRUIK-KTKRTIGZSA-N. The full InChI is InChI=1S/C21H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10H,2-8,11-22H2,1H3/b10-9-.
What are the key properties of 3-[(Z)-octadec-9-enoxy]propan-1-amine?
3-[(Z)-octadec-9-enoxy]propan-1-amine has a molecular weight of 325.58 g/mol, XLogP of 6.39, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-octadec-9-enoxy]propan-1-amine is sourced from PubChem (CID 87319460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).