(3E,5Z)-4-aminoocta-3,5,7-trien-1-ol

C8H13NO — CID 89418423

IUPAC(3E,5Z)-4-aminoocta-3,5,7-trien-1-ol
SMILESC=C/C=C\C(N)=C/CCO
InChIInChI=1S/C8H13NO/c1-2-3-5-8(9)6-4-7-10/h2-3,5-6,10H,1,4,7,9H2/b5-3-,8-6+
InChIKeyICGRQNUGAFUOBL-CUKJDEOPSA-N
MW139.20 g/mol
LogP0.95
Rot. Bonds4

About (3E,5Z)-4-aminoocta-3,5,7-trien-1-ol

(3E,5Z)-4-aminoocta-3,5,7-trien-1-ol (PubChem CID 89418423) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3E,5Z)-4-aminoocta-3,5,7-trien-1-ol.

Molecular Properties

Compound Name(3E,5Z)-4-aminoocta-3,5,7-trien-1-ol
PubChem CID89418423
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E,5Z)-4-aminoocta-3,5,7-trien-1-ol
SMILESC=C/C=C\C(N)=C/CCO
InChIInChI=1S/C8H13NO/c1-2-3-5-8(9)6-4-7-10/h2-3,5-6,10H,1,4,7,9H2/b5-3-,8-6+
InChIKeyICGRQNUGAFUOBL-CUKJDEOPSA-N
XLogP0.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5Z)-4-aminoocta-3,5,7-trien-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 (3E,5Z)-4-aminoocta-3,5,7-trien-1-ol?
The IUPAC name of (3E,5Z)-4-aminoocta-3,5,7-trien-1-ol (CID 89418423) is (3E,5Z)-4-aminoocta-3,5,7-trien-1-ol.
What is the SMILES notation for (3E,5Z)-4-aminoocta-3,5,7-trien-1-ol?
The canonical SMILES for (3E,5Z)-4-aminoocta-3,5,7-trien-1-ol is C=C/C=C\C(N)=C/CCO.
What is the InChIKey of (3E,5Z)-4-aminoocta-3,5,7-trien-1-ol?
The InChIKey is ICGRQNUGAFUOBL-CUKJDEOPSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-5-8(9)6-4-7-10/h2-3,5-6,10H,1,4,7,9H2/b5-3-,8-6+.
What are the key properties of (3E,5Z)-4-aminoocta-3,5,7-trien-1-ol?
(3E,5Z)-4-aminoocta-3,5,7-trien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-aminoocta-3,5,7-trien-1-ol is sourced from PubChem (CID 89418423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).