(3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine

C9H16N2 — CID 155030395

IUPAC(3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine
SMILESC=C(/C=C\C(C)=N\C)N(C)C
InChIInChI=1S/C9H16N2/c1-8(10-3)6-7-9(2)11(4)5/h6-7H,2H2,1,3-5H3/b7-6-,10-8+
InChIKeyKRPXEJIPIMLDRY-VAAURPRASA-N
MW152.24 g/mol
LogP1.71
Rot. Bonds3

About (3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine

(3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine (PubChem CID 155030395) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine
PubChem CID155030395
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine
SMILESC=C(/C=C\C(C)=N\C)N(C)C
InChIInChI=1S/C9H16N2/c1-8(10-3)6-7-9(2)11(4)5/h6-7H,2H2,1,3-5H3/b7-6-,10-8+
InChIKeyKRPXEJIPIMLDRY-VAAURPRASA-N
XLogP1.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-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)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine?
The IUPAC name of (3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine (CID 155030395) is (3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine is C=C(/C=C\C(C)=N\C)N(C)C.
What is the InChIKey of (3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine?
The InChIKey is KRPXEJIPIMLDRY-VAAURPRASA-N. The full InChI is InChI=1S/C9H16N2/c1-8(10-3)6-7-9(2)11(4)5/h6-7H,2H2,1,3-5H3/b7-6-,10-8+.
What are the key properties of (3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine?
(3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-dimethyl-5-methyliminohexa-1,3-dien-2-amine is sourced from PubChem (CID 155030395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).