(3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol

C8H15NO — CID 166892548

IUPAC(3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol
SMILESCC/C(O)=C\C=C(/C)NC
InChIInChI=1S/C8H15NO/c1-4-8(10)6-5-7(2)9-3/h5-6,9-10H,4H2,1-3H3/b7-5+,8-6+
InChIKeyZKGWKIJUIMKVAG-KQQUZDAGSA-N
MW141.21 g/mol
LogP1.96
Rot. Bonds3

About (3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol

(3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol (PubChem CID 166892548) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol.

Molecular Properties

Compound Name(3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol
PubChem CID166892548
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol
SMILESCC/C(O)=C\C=C(/C)NC
InChIInChI=1S/C8H15NO/c1-4-8(10)6-5-7(2)9-3/h5-6,9-10H,4H2,1-3H3/b7-5+,8-6+
InChIKeyZKGWKIJUIMKVAG-KQQUZDAGSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.96
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 (3E,5E)-6-(methylamino)hepta-3,5-dien-3-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,5E)-6-(methylamino)hepta-3,5-dien-3-ol?
The IUPAC name of (3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol (CID 166892548) is (3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol.
What is the SMILES notation for (3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol?
The canonical SMILES for (3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol is CC/C(O)=C\C=C(/C)NC.
What is the InChIKey of (3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol?
The InChIKey is ZKGWKIJUIMKVAG-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(10)6-5-7(2)9-3/h5-6,9-10H,4H2,1-3H3/b7-5+,8-6+.
What are the key properties of (3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol?
(3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol has a molecular weight of 141.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol is sourced from PubChem (CID 166892548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).