2-aminooctadeca-1,3,4-trien-1-ol

C18H33NO — CID 176527482

IUPAC2-aminooctadeca-1,3,4-trien-1-ol
SMILESCCCCCCCCCCCCCC=C=CC(N)=CO
InChIInChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h14,16-17,20H,2-13,19H2,1H3
InChIKeyGKILNIBLZVARHM-UHFFFAOYSA-N
MW279.47 g/mol
LogP5.76
Rot. Bonds13

About 2-aminooctadeca-1,3,4-trien-1-ol

2-aminooctadeca-1,3,4-trien-1-ol (PubChem CID 176527482) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-aminooctadeca-1,3,4-trien-1-ol.

Molecular Properties

Compound Name2-aminooctadeca-1,3,4-trien-1-ol
PubChem CID176527482
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-aminooctadeca-1,3,4-trien-1-ol
SMILESCCCCCCCCCCCCCC=C=CC(N)=CO
InChIInChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h14,16-17,20H,2-13,19H2,1H3
InChIKeyGKILNIBLZVARHM-UHFFFAOYSA-N
XLogP5.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

pentacosa-12,13-diene
CID 174365678
dodeca-3,4-diene
CID 91492112
octadeca-5,6-diene
CID 141110817
octadeca-2,3-dien-1-ol
CID 138969077
dodeca-2,3-dienal
CID 11810769
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
2,2-dimethyltrideca-3,4-diene
CID 134994881
tetradeca-2,3-dienal
CID 25179784
pentadeca-1,4,5-triene
CID 174394424
pentacosa-2,3-dienenitrile
CID 175148775
heptatriaconta-15,18,19-triene
CID 57100861
heptadeca-1,5,6-trien-4-ol
CID 25179794

Frequently Asked Questions

What is the IUPAC name of 2-aminooctadeca-1,3,4-trien-1-ol?
The IUPAC name of 2-aminooctadeca-1,3,4-trien-1-ol (CID 176527482) is 2-aminooctadeca-1,3,4-trien-1-ol.
What is the SMILES notation for 2-aminooctadeca-1,3,4-trien-1-ol?
The canonical SMILES for 2-aminooctadeca-1,3,4-trien-1-ol is CCCCCCCCCCCCCC=C=CC(N)=CO.
What is the InChIKey of 2-aminooctadeca-1,3,4-trien-1-ol?
The InChIKey is GKILNIBLZVARHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h14,16-17,20H,2-13,19H2,1H3.
What are the key properties of 2-aminooctadeca-1,3,4-trien-1-ol?
2-aminooctadeca-1,3,4-trien-1-ol has a molecular weight of 279.47 g/mol, XLogP of 5.76, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooctadeca-1,3,4-trien-1-ol is sourced from PubChem (CID 176527482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).