2-(3,3-dimethylbutan-2-yl)-4-methylpyridine

C12H19N — CID 170214130

IUPAC2-(3,3-dimethylbutan-2-yl)-4-methylpyridine
SMILESCc1ccnc(C(C)C(C)(C)C)c1
InChIInChI=1S/C12H19N/c1-9-6-7-13-11(8-9)10(2)12(3,4)5/h6-8,10H,1-5H3
InChIKeyHILRWJBAXLTWBB-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.54
Rot. Bonds1

About 2-(3,3-dimethylbutan-2-yl)-4-methylpyridine

2-(3,3-dimethylbutan-2-yl)-4-methylpyridine (PubChem CID 170214130) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-yl)-4-methylpyridine
PubChem CID170214130
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-(3,3-dimethylbutan-2-yl)-4-methylpyridine
SMILESCc1ccnc(C(C)C(C)(C)C)c1
InChIInChI=1S/C12H19N/c1-9-6-7-13-11(8-9)10(2)12(3,4)5/h6-8,10H,1-5H3
InChIKeyHILRWJBAXLTWBB-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[1-(4-methyl-2-pyridinyl)ethyl]propan-2-amine
CID 130709591
(1S)-1-(4-methyl-2-pyridinyl)ethanol
CID 64712746
4-methyl-3-(4-methyl-2-pyridinyl)pentan-2-ol
CID 63200160
2-(4-methyl-2-pyridinyl)propan-1-amine
CID 82594772
4,4-dimethyl-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 63840384
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 130153201
2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine
CID 176738961
1-(4-methyl-2-pyridinyl)tridecan-1-ol
CID 63840083
2-amino-1-(4-methyl-2-pyridinyl)ethanol;dihydrochloride
CID 71742337
(4-methylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63840530
2-amino-2-(4-methyl-2-pyridinyl)acetonitrile
CID 131348477
methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate
CID 165351369

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-yl)-4-methylpyridine?
The IUPAC name of 2-(3,3-dimethylbutan-2-yl)-4-methylpyridine (CID 170214130) is 2-(3,3-dimethylbutan-2-yl)-4-methylpyridine.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-yl)-4-methylpyridine?
The canonical SMILES for 2-(3,3-dimethylbutan-2-yl)-4-methylpyridine is Cc1ccnc(C(C)C(C)(C)C)c1.
What is the InChIKey of 2-(3,3-dimethylbutan-2-yl)-4-methylpyridine?
The InChIKey is HILRWJBAXLTWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9-6-7-13-11(8-9)10(2)12(3,4)5/h6-8,10H,1-5H3.
What are the key properties of 2-(3,3-dimethylbutan-2-yl)-4-methylpyridine?
2-(3,3-dimethylbutan-2-yl)-4-methylpyridine has a molecular weight of 177.29 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-yl)-4-methylpyridine is sourced from PubChem (CID 170214130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).