(2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine

C9H14N2 — CID 88860380

IUPAC(2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(N)=C(C)\C=N\C
InChIInChI=1S/C9H14N2/c1-4-5-6-9(10)8(2)7-11-3/h4-7H,1,10H2,2-3H3/b6-5-,9-8-,11-7+
InChIKeyAIVWYDTWIZBUJT-VZUXIAFRSA-N
MW150.22 g/mol
LogP1.66
Rot. Bonds3

About (2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine

(2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine (PubChem CID 88860380) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine
PubChem CID88860380
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine
SMILESC=C/C=C\C(N)=C(C)\C=N\C
InChIInChI=1S/C9H14N2/c1-4-5-6-9(10)8(2)7-11-3/h4-7H,1,10H2,2-3H3/b6-5-,9-8-,11-7+
InChIKeyAIVWYDTWIZBUJT-VZUXIAFRSA-N
XLogP1.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-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 (2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine?
The IUPAC name of (2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine (CID 88860380) is (2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine?
The canonical SMILES for (2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine is C=C/C=C\C(N)=C(C)\C=N\C.
What is the InChIKey of (2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine?
The InChIKey is AIVWYDTWIZBUJT-VZUXIAFRSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-5-6-9(10)8(2)7-11-3/h4-7H,1,10H2,2-3H3/b6-5-,9-8-,11-7+.
What are the key properties of (2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine?
(2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine has a molecular weight of 150.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine is sourced from PubChem (CID 88860380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).