1-[[(Z)-octadec-9-enyl]amino]propan-1-ol

C21H43NO — CID 87358149

IUPAC1-[[(Z)-octadec-9-enyl]amino]propan-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCCNC(O)CC
InChIInChI=1S/C21H43NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2/h11-12,21-23H,3-10,13-20H2,1-2H3/b12-11-
InChIKeyFKNHPCIFWOJPLE-QXMHVHEDSA-N
MW325.58 g/mol
LogP6.34
Rot. Bonds18

About 1-[[(Z)-octadec-9-enyl]amino]propan-1-ol

1-[[(Z)-octadec-9-enyl]amino]propan-1-ol (PubChem CID 87358149) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 1-[[(Z)-octadec-9-enyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-[[(Z)-octadec-9-enyl]amino]propan-1-ol
PubChem CID87358149
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name1-[[(Z)-octadec-9-enyl]amino]propan-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCCNC(O)CC
InChIInChI=1S/C21H43NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2/h11-12,21-23H,3-10,13-20H2,1-2H3/b12-11-
InChIKeyFKNHPCIFWOJPLE-QXMHVHEDSA-N
XLogP6.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[(Z)-octadec-9-enyl]amino]propan-1-ol 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 1-[[(Z)-octadec-9-enyl]amino]propan-1-ol?
The IUPAC name of 1-[[(Z)-octadec-9-enyl]amino]propan-1-ol (CID 87358149) is 1-[[(Z)-octadec-9-enyl]amino]propan-1-ol.
What is the SMILES notation for 1-[[(Z)-octadec-9-enyl]amino]propan-1-ol?
The canonical SMILES for 1-[[(Z)-octadec-9-enyl]amino]propan-1-ol is CCCCCCCC/C=C\CCCCCCCCNC(O)CC.
What is the InChIKey of 1-[[(Z)-octadec-9-enyl]amino]propan-1-ol?
The InChIKey is FKNHPCIFWOJPLE-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H43NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2/h11-12,21-23H,3-10,13-20H2,1-2H3/b12-11-.
What are the key properties of 1-[[(Z)-octadec-9-enyl]amino]propan-1-ol?
1-[[(Z)-octadec-9-enyl]amino]propan-1-ol has a molecular weight of 325.58 g/mol, XLogP of 6.34, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-octadec-9-enyl]amino]propan-1-ol is sourced from PubChem (CID 87358149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).