(Z)-1-ethoxyoctadec-9-en-1-amine

C20H41NO — CID 87292854

IUPAC(Z)-1-ethoxyoctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(N)OCC
InChIInChI=1S/C20H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12,20H,3-10,13-19,21H2,1-2H3/b12-11-
InChIKeyKSWMSPDLXQHUGP-QXMHVHEDSA-N
MW311.55 g/mol
LogP6.35
Rot. Bonds17

About (Z)-1-ethoxyoctadec-9-en-1-amine

(Z)-1-ethoxyoctadec-9-en-1-amine (PubChem CID 87292854) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is (Z)-1-ethoxyoctadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-1-ethoxyoctadec-9-en-1-amine
PubChem CID87292854
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name(Z)-1-ethoxyoctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(N)OCC
InChIInChI=1S/C20H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12,20H,3-10,13-19,21H2,1-2H3/b12-11-
InChIKeyKSWMSPDLXQHUGP-QXMHVHEDSA-N
XLogP6.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.35
H-Bond Donors ≤ 51
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 (Z)-1-ethoxyoctadec-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 (Z)-1-ethoxyoctadec-9-en-1-amine?
The IUPAC name of (Z)-1-ethoxyoctadec-9-en-1-amine (CID 87292854) is (Z)-1-ethoxyoctadec-9-en-1-amine.
What is the SMILES notation for (Z)-1-ethoxyoctadec-9-en-1-amine?
The canonical SMILES for (Z)-1-ethoxyoctadec-9-en-1-amine is CCCCCCCC/C=C\CCCCCCCC(N)OCC.
What is the InChIKey of (Z)-1-ethoxyoctadec-9-en-1-amine?
The InChIKey is KSWMSPDLXQHUGP-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12,20H,3-10,13-19,21H2,1-2H3/b12-11-.
What are the key properties of (Z)-1-ethoxyoctadec-9-en-1-amine?
(Z)-1-ethoxyoctadec-9-en-1-amine has a molecular weight of 311.55 g/mol, XLogP of 6.35, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxyoctadec-9-en-1-amine is sourced from PubChem (CID 87292854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).