(2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine

C9H15NO — CID 143367714

IUPAC(2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C(/C)CN)OC
InChIInChI=1S/C9H15NO/c1-4-9(11-3)6-5-8(2)7-10/h4-6H,1,7,10H2,2-3H3/b8-5+,9-6+
InChIKeyCVTHMDBKCNAAGZ-XVYDYJIPSA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds4

About (2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine

(2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine (PubChem CID 143367714) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine
PubChem CID143367714
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C(/C)CN)OC
InChIInChI=1S/C9H15NO/c1-4-9(11-3)6-5-8(2)7-10/h4-6H,1,7,10H2,2-3H3/b8-5+,9-6+
InChIKeyCVTHMDBKCNAAGZ-XVYDYJIPSA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
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 (2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine 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 (2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine (CID 143367714) is (2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine is C=C/C(=C\C=C(/C)CN)OC.
What is the InChIKey of (2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine?
The InChIKey is CVTHMDBKCNAAGZ-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-9(11-3)6-5-8(2)7-10/h4-6H,1,7,10H2,2-3H3/b8-5+,9-6+.
What are the key properties of (2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine?
(2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-methoxy-2-methylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 143367714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).