(Z)-3-(aminomethyl)nonadec-10-en-1-ol

C20H41NO — CID 88627061

IUPAC(Z)-3-(aminomethyl)nonadec-10-en-1-ol
SMILESCCCCCCCC/C=C\CCCCCCC(CN)CCO
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19-21)17-18-22/h9-10,20,22H,2-8,11-19,21H2,1H3/b10-9-
InChIKeyVHCXQNCFLFLSHS-KTKRTIGZSA-N
MW311.55 g/mol
LogP5.59
Rot. Bonds17

About (Z)-3-(aminomethyl)nonadec-10-en-1-ol

(Z)-3-(aminomethyl)nonadec-10-en-1-ol (PubChem CID 88627061) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is (Z)-3-(aminomethyl)nonadec-10-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(aminomethyl)nonadec-10-en-1-ol
PubChem CID88627061
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name(Z)-3-(aminomethyl)nonadec-10-en-1-ol
SMILESCCCCCCCC/C=C\CCCCCCC(CN)CCO
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19-21)17-18-22/h9-10,20,22H,2-8,11-19,21H2,1H3/b10-9-
InChIKeyVHCXQNCFLFLSHS-KTKRTIGZSA-N
XLogP5.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.59
H-Bond Donors ≤ 52
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 (Z)-3-(aminomethyl)nonadec-10-en-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 (Z)-3-(aminomethyl)nonadec-10-en-1-ol?
The IUPAC name of (Z)-3-(aminomethyl)nonadec-10-en-1-ol (CID 88627061) is (Z)-3-(aminomethyl)nonadec-10-en-1-ol.
What is the SMILES notation for (Z)-3-(aminomethyl)nonadec-10-en-1-ol?
The canonical SMILES for (Z)-3-(aminomethyl)nonadec-10-en-1-ol is CCCCCCCC/C=C\CCCCCCC(CN)CCO.
What is the InChIKey of (Z)-3-(aminomethyl)nonadec-10-en-1-ol?
The InChIKey is VHCXQNCFLFLSHS-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19-21)17-18-22/h9-10,20,22H,2-8,11-19,21H2,1H3/b10-9-.
What are the key properties of (Z)-3-(aminomethyl)nonadec-10-en-1-ol?
(Z)-3-(aminomethyl)nonadec-10-en-1-ol has a molecular weight of 311.55 g/mol, XLogP of 5.59, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(aminomethyl)nonadec-10-en-1-ol is sourced from PubChem (CID 88627061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).