(4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol

C9H15NO — CID 167296605

IUPAC(4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol
SMILESC=CC/C(O)=C(N)\C(C)=C\C
InChIInChI=1S/C9H15NO/c1-4-6-8(11)9(10)7(3)5-2/h4-5,11H,1,6,10H2,2-3H3/b7-5+,9-8-
InChIKeyWNKSWIVQPALZNM-WGKMIZOUSA-N
MW153.22 g/mol
LogP2.26
Rot. Bonds3

About (4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol

(4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol (PubChem CID 167296605) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol.

Molecular Properties

Compound Name(4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol
PubChem CID167296605
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol
SMILESC=CC/C(O)=C(N)\C(C)=C\C
InChIInChI=1S/C9H15NO/c1-4-6-8(11)9(10)7(3)5-2/h4-5,11H,1,6,10H2,2-3H3/b7-5+,9-8-
InChIKeyWNKSWIVQPALZNM-WGKMIZOUSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-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 (4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol?
The IUPAC name of (4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol (CID 167296605) is (4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol.
What is the SMILES notation for (4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol?
The canonical SMILES for (4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol is C=CC/C(O)=C(N)\C(C)=C\C.
What is the InChIKey of (4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol?
The InChIKey is WNKSWIVQPALZNM-WGKMIZOUSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-8(11)9(10)7(3)5-2/h4-5,11H,1,6,10H2,2-3H3/b7-5+,9-8-.
What are the key properties of (4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol?
(4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol has a molecular weight of 153.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol is sourced from PubChem (CID 167296605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).