2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine

C11H20N2 — CID 56626073

IUPAC2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC(C)=CN(C)C1CCCC
InChIInChI=1S/C11H20N2/c1-4-5-6-11-10(12)7-9(2)8-13(11)3/h8,11-12H,4-7H2,1-3H3/b12-10+
InChIKeySAUUERKZXCSSAL-ZRDIBKRKSA-N
MW180.29 g/mol
LogP2.80
Rot. Bonds3

About 2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine

2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine (PubChem CID 56626073) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
PubChem CID56626073
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC(C)=CN(C)C1CCCC
InChIInChI=1S/C11H20N2/c1-4-5-6-11-10(12)7-9(2)8-13(11)3/h8,11-12H,4-7H2,1-3H3/b12-10+
InChIKeySAUUERKZXCSSAL-ZRDIBKRKSA-N
XLogP2.80
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine 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-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine?
The IUPAC name of 2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine (CID 56626073) is 2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine?
The canonical SMILES for 2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine is [H]/N=C1\CC(C)=CN(C)C1CCCC.
What is the InChIKey of 2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine?
The InChIKey is SAUUERKZXCSSAL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-6-11-10(12)7-9(2)8-13(11)3/h8,11-12H,4-7H2,1-3H3/b12-10+.
What are the key properties of 2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine?
2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine has a molecular weight of 180.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 56626073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).