(3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine

C9H15NO — CID 142985957

IUPAC(3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C/C)OC)NC
InChIInChI=1S/C9H15NO/c1-5-9(11-4)7-6-8(2)10-3/h5-7,10H,2H2,1,3-4H3/b7-6-,9-5+
InChIKeyIFRZIRPHPBJFEB-QRLJIZSYSA-N
MW153.22 g/mol
LogP1.83
Rot. Bonds4

About (3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine

(3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine (PubChem CID 142985957) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine
PubChem CID142985957
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C/C)OC)NC
InChIInChI=1S/C9H15NO/c1-5-9(11-4)7-6-8(2)10-3/h5-7,10H,2H2,1,3-4H3/b7-6-,9-5+
InChIKeyIFRZIRPHPBJFEB-QRLJIZSYSA-N
XLogP1.83
TPSA21.26 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 ≤ 51.83
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 (3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-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 (3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine (CID 142985957) is (3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine is C=C(/C=C\C(=C/C)OC)NC.
What is the InChIKey of (3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine?
The InChIKey is IFRZIRPHPBJFEB-QRLJIZSYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-9(11-4)7-6-8(2)10-3/h5-7,10H,2H2,1,3-4H3/b7-6-,9-5+.
What are the key properties of (3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine?
(3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine has a molecular weight of 153.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-methoxy-N-methylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 142985957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).