2-aminooctadec-4-ene-3,3-diol

C18H37NO2 — CID 173182138

IUPAC2-aminooctadec-4-ene-3,3-diol
SMILESCCCCCCCCCCCCCC=CC(O)(O)C(C)N
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20,21)17(2)19/h15-17,20-21H,3-14,19H2,1-2H3
InChIKeyVTEAMIBKGFGSSI-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.27
Rot. Bonds14

About 2-aminooctadec-4-ene-3,3-diol

2-aminooctadec-4-ene-3,3-diol (PubChem CID 173182138) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-aminooctadec-4-ene-3,3-diol.

Molecular Properties

Compound Name2-aminooctadec-4-ene-3,3-diol
PubChem CID173182138
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-aminooctadec-4-ene-3,3-diol
SMILESCCCCCCCCCCCCCC=CC(O)(O)C(C)N
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20,21)17(2)19/h15-17,20-21H,3-14,19H2,1-2H3
InChIKeyVTEAMIBKGFGSSI-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-aminooctadec-4-ene-3,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

dodec-2-ene-1,1,1-triol
CID 139766576
tetradec-3-ene-1,2,2-triol
CID 139766469
(9Z)-hexatriaconta-9,19-diene-18,18-diol
CID 173172892
(Z)-2-aminoicos-11-ene-1,1,1-triol;hydrobromide
CID 173363645
(E)-dodec-4-en-2-amine
CID 55254669
heptatriaconta-6,28-dien-19-amine
CID 123539967
(E)-hexacos-10-ene
CID 22172169
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895

Frequently Asked Questions

What is the IUPAC name of 2-aminooctadec-4-ene-3,3-diol?
The IUPAC name of 2-aminooctadec-4-ene-3,3-diol (CID 173182138) is 2-aminooctadec-4-ene-3,3-diol.
What is the SMILES notation for 2-aminooctadec-4-ene-3,3-diol?
The canonical SMILES for 2-aminooctadec-4-ene-3,3-diol is CCCCCCCCCCCCCC=CC(O)(O)C(C)N.
What is the InChIKey of 2-aminooctadec-4-ene-3,3-diol?
The InChIKey is VTEAMIBKGFGSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20,21)17(2)19/h15-17,20-21H,3-14,19H2,1-2H3.
What are the key properties of 2-aminooctadec-4-ene-3,3-diol?
2-aminooctadec-4-ene-3,3-diol has a molecular weight of 299.50 g/mol, XLogP of 4.27, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooctadec-4-ene-3,3-diol is sourced from PubChem (CID 173182138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).