2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine

C12H19N — CID 152828234

IUPAC2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine
SMILESCc1ccnc(C[C@H](C)C(C)C)c1
InChIInChI=1S/C12H19N/c1-9(2)11(4)8-12-7-10(3)5-6-13-12/h5-7,9,11H,8H2,1-4H3/t11-/m0/s1
InChIKeySVMZYCOSNCPYAI-NSHDSACASA-N
MW177.29 g/mol
LogP3.22
Rot. Bonds3

About 2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine

2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine (PubChem CID 152828234) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine.

Molecular Properties

Compound Name2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine
PubChem CID152828234
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine
SMILESCc1ccnc(C[C@H](C)C(C)C)c1
InChIInChI=1S/C12H19N/c1-9(2)11(4)8-12-7-10(3)5-6-13-12/h5-7,9,11H,8H2,1-4H3/t11-/m0/s1
InChIKeySVMZYCOSNCPYAI-NSHDSACASA-N
XLogP3.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine
CID 63201754
N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 16640575
(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 28923762
2-(2-chloropentyl)-4-methylpyridine
CID 18799713
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351
2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine
CID 63352927
ethane;2-(2-ethylpentyl)-4-methylpyridine
CID 145149473
trimethyl-[(4-methyl-2-pyridinyl)methyl]silane
CID 45117498
(4-methyl-2-pyridinyl)methanol;hydrobromide
CID 133055836
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine?
The IUPAC name of 2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine (CID 152828234) is 2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine.
What is the SMILES notation for 2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine?
The canonical SMILES for 2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine is Cc1ccnc(C[C@H](C)C(C)C)c1.
What is the InChIKey of 2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine?
The InChIKey is SVMZYCOSNCPYAI-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)11(4)8-12-7-10(3)5-6-13-12/h5-7,9,11H,8H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine?
2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine has a molecular weight of 177.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine is sourced from PubChem (CID 152828234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).