(3Z,6E)-6-aminoocta-1,3,6-trien-2-ol

C8H13NO — CID 130391051

IUPAC(3Z,6E)-6-aminoocta-1,3,6-trien-2-ol
SMILESC=C(O)/C=C\C/C(N)=C\C
InChIInChI=1S/C8H13NO/c1-3-8(9)6-4-5-7(2)10/h3-5,10H,2,6,9H2,1H3/b5-4-,8-3+
InChIKeyXCIXQJUZFNZYQO-UEQFWHKLSA-N
MW139.20 g/mol
LogP1.87
Rot. Bonds3

About (3Z,6E)-6-aminoocta-1,3,6-trien-2-ol

(3Z,6E)-6-aminoocta-1,3,6-trien-2-ol (PubChem CID 130391051) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3Z,6E)-6-aminoocta-1,3,6-trien-2-ol.

Molecular Properties

Compound Name(3Z,6E)-6-aminoocta-1,3,6-trien-2-ol
PubChem CID130391051
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3Z,6E)-6-aminoocta-1,3,6-trien-2-ol
SMILESC=C(O)/C=C\C/C(N)=C\C
InChIInChI=1S/C8H13NO/c1-3-8(9)6-4-5-7(2)10/h3-5,10H,2,6,9H2,1H3/b5-4-,8-3+
InChIKeyXCIXQJUZFNZYQO-UEQFWHKLSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,6E)-6-aminoocta-1,3,6-trien-2-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 (3Z,6E)-6-aminoocta-1,3,6-trien-2-ol?
The IUPAC name of (3Z,6E)-6-aminoocta-1,3,6-trien-2-ol (CID 130391051) is (3Z,6E)-6-aminoocta-1,3,6-trien-2-ol.
What is the SMILES notation for (3Z,6E)-6-aminoocta-1,3,6-trien-2-ol?
The canonical SMILES for (3Z,6E)-6-aminoocta-1,3,6-trien-2-ol is C=C(O)/C=C\C/C(N)=C\C.
What is the InChIKey of (3Z,6E)-6-aminoocta-1,3,6-trien-2-ol?
The InChIKey is XCIXQJUZFNZYQO-UEQFWHKLSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8(9)6-4-5-7(2)10/h3-5,10H,2,6,9H2,1H3/b5-4-,8-3+.
What are the key properties of (3Z,6E)-6-aminoocta-1,3,6-trien-2-ol?
(3Z,6E)-6-aminoocta-1,3,6-trien-2-ol has a molecular weight of 139.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E)-6-aminoocta-1,3,6-trien-2-ol is sourced from PubChem (CID 130391051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).