(2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine

C12H21N — CID 130224013

IUPAC(2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine
SMILESCC(C)C(C)(C)C1=CC=N[C@H](C)C1
InChIInChI=1S/C12H21N/c1-9(2)12(4,5)11-6-7-13-10(3)8-11/h6-7,9-10H,8H2,1-5H3/t10-/m1/s1
InChIKeyGKLXNKODARNGFX-SNVBAGLBSA-N
MW179.31 g/mol
LogP3.46
Rot. Bonds2

About (2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine

(2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine (PubChem CID 130224013) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine
PubChem CID130224013
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine
SMILESCC(C)C(C)(C)C1=CC=N[C@H](C)C1
InChIInChI=1S/C12H21N/c1-9(2)12(4,5)11-6-7-13-10(3)8-11/h6-7,9-10H,8H2,1-5H3/t10-/m1/s1
InChIKeyGKLXNKODARNGFX-SNVBAGLBSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine 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 (2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine?
The IUPAC name of (2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine (CID 130224013) is (2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for (2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine?
The canonical SMILES for (2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine is CC(C)C(C)(C)C1=CC=N[C@H](C)C1.
What is the InChIKey of (2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine?
The InChIKey is GKLXNKODARNGFX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)12(4,5)11-6-7-13-10(3)8-11/h6-7,9-10H,8H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine?
(2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,3-dimethylbutan-2-yl)-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 130224013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).