(3R,4R)-3,4-dimethyl-3,4-dihydropyridine

C7H11N — CID 59584680

IUPAC(3R,4R)-3,4-dimethyl-3,4-dihydropyridine
SMILESC[C@@H]1C=CN=C[C@@H]1C
InChIInChI=1S/C7H11N/c1-6-3-4-8-5-7(6)2/h3-7H,1-2H3/t6-,7+/m1/s1
InChIKeyNLCSWVUCLFYVKA-RQJHMYQMSA-N
MW109.17 g/mol
LogP1.86
Rot. Bonds

About (3R,4R)-3,4-dimethyl-3,4-dihydropyridine

(3R,4R)-3,4-dimethyl-3,4-dihydropyridine (PubChem CID 59584680) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethyl-3,4-dihydropyridine
PubChem CID59584680
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(3R,4R)-3,4-dimethyl-3,4-dihydropyridine
SMILESC[C@@H]1C=CN=C[C@@H]1C
InChIInChI=1S/C7H11N/c1-6-3-4-8-5-7(6)2/h3-7H,1-2H3/t6-,7+/m1/s1
InChIKeyNLCSWVUCLFYVKA-RQJHMYQMSA-N
XLogP1.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R,4R)-3,4-dimethyl-3,4-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-3-methyl-3,4-dihydropyridine
CID 68239949
(3S)-5-fluoro-3-methyl-3,4-dihydropyridine
CID 89024044
5-Fluoro-3-methyl-3,4-dihydropyridine
CID 123967163
3-Fluoro-4-methyl-3,4-dihydropyridine
CID 134377478
5-Fluoro-3,4-dimethyl-3,4-dihydropyridine
CID 146580434
6-Fluoro-3-methyl-3,4-dihydropyridine
CID 153648267
5-Fluoro-4-methyl-3,4-dihydropyridine
CID 155454905
N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine
CID 167254337
2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine
CID 170076014
4-(Difluoromethyl)-3-methyl-3,4-dihydropyridine
CID 162560053
3-methyl-3H-pyrrole
CID 10953038
N-[(E)-3-methylbut-1-enyl]ethanimine
CID 14792735

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dimethyl-3,4-dihydropyridine?
The IUPAC name of (3R,4R)-3,4-dimethyl-3,4-dihydropyridine (CID 59584680) is (3R,4R)-3,4-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for (3R,4R)-3,4-dimethyl-3,4-dihydropyridine?
The canonical SMILES for (3R,4R)-3,4-dimethyl-3,4-dihydropyridine is C[C@@H]1C=CN=C[C@@H]1C.
What is the InChIKey of (3R,4R)-3,4-dimethyl-3,4-dihydropyridine?
The InChIKey is NLCSWVUCLFYVKA-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-4-8-5-7(6)2/h3-7H,1-2H3/t6-,7+/m1/s1.
What are the key properties of (3R,4R)-3,4-dimethyl-3,4-dihydropyridine?
(3R,4R)-3,4-dimethyl-3,4-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 59584680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).