2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine

C10H17N3 — CID 129033098

IUPAC2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine
SMILESC=N/C=C\C(C)(C)/C=N/C=CNC
InChIInChI=1S/C10H17N3/c1-10(2,5-6-11-3)9-13-8-7-12-4/h5-9,12H,3H2,1-2,4H3/b6-5-,8-7?,13-9+
InChIKeyOJQSPARPBDQCJZ-HUEYHUFYSA-N
MW179.27 g/mol
LogP1.99
Rot. Bonds5

About 2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine

2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine (PubChem CID 129033098) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine.

Molecular Properties

Compound Name2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine
PubChem CID129033098
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine
SMILESC=N/C=C\C(C)(C)/C=N/C=CNC
InChIInChI=1S/C10H17N3/c1-10(2,5-6-11-3)9-13-8-7-12-4/h5-9,12H,3H2,1-2,4H3/b6-5-,8-7?,13-9+
InChIKeyOJQSPARPBDQCJZ-HUEYHUFYSA-N
XLogP1.99
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine 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 2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine?
The IUPAC name of 2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine (CID 129033098) is 2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine.
What is the SMILES notation for 2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine?
The canonical SMILES for 2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine is C=N/C=C\C(C)(C)/C=N/C=CNC.
What is the InChIKey of 2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine?
The InChIKey is OJQSPARPBDQCJZ-HUEYHUFYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,5-6-11-3)9-13-8-7-12-4/h5-9,12H,3H2,1-2,4H3/b6-5-,8-7?,13-9+.
What are the key properties of 2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine?
2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine has a molecular weight of 179.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2,2-dimethyl-4-(methylideneamino)but-3-enylidene]amino]-N-methylethenamine is sourced from PubChem (CID 129033098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).