2-[(2S)-butan-2-yl]-4,5-dimethylpyridine

C11H17N — CID 163020641

IUPAC2-[(2S)-butan-2-yl]-4,5-dimethylpyridine
SMILESCC[C@H](C)c1cc(C)c(C)cn1
InChIInChI=1S/C11H17N/c1-5-8(2)11-6-9(3)10(4)7-12-11/h6-8H,5H2,1-4H3/t8-/m0/s1
InChIKeyNBZHGWVSBQLDMM-QMMMGPOBSA-N
MW163.26 g/mol
LogP3.21
Rot. Bonds2

About 2-[(2S)-butan-2-yl]-4,5-dimethylpyridine

2-[(2S)-butan-2-yl]-4,5-dimethylpyridine (PubChem CID 163020641) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]-4,5-dimethylpyridine.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]-4,5-dimethylpyridine
PubChem CID163020641
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-[(2S)-butan-2-yl]-4,5-dimethylpyridine
SMILESCC[C@H](C)c1cc(C)c(C)cn1
InChIInChI=1S/C11H17N/c1-5-8(2)11-6-9(3)10(4)7-12-11/h6-8H,5H2,1-4H3/t8-/m0/s1
InChIKeyNBZHGWVSBQLDMM-QMMMGPOBSA-N
XLogP3.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dimethyl-2-pentan-3-ylpyridine
CID 126754894
4,5-dimethyl-2-nonan-3-ylpyridine
CID 170346032
2-bromo-5-butan-2-ylpyrazine
CID 91862993
CID 175620660
CID 175620660
5-butan-2-yl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 162439065
1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol
CID 166123454
5-butan-2-yl-3-ethyl-2-methylpyrazine
CID 55254891
(1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol
CID 166123718
2-butan-2-yl-5-(2-methylbutan-2-yl)pyridine
CID 90395896
6-butan-2-yl-N,N-dimethylpyridin-3-amine
CID 134461277
ethyl 6-butan-2-ylpyridine-3-carboxylate
CID 143474264
2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine
CID 126724010

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]-4,5-dimethylpyridine?
The IUPAC name of 2-[(2S)-butan-2-yl]-4,5-dimethylpyridine (CID 163020641) is 2-[(2S)-butan-2-yl]-4,5-dimethylpyridine.
What is the SMILES notation for 2-[(2S)-butan-2-yl]-4,5-dimethylpyridine?
The canonical SMILES for 2-[(2S)-butan-2-yl]-4,5-dimethylpyridine is CC[C@H](C)c1cc(C)c(C)cn1.
What is the InChIKey of 2-[(2S)-butan-2-yl]-4,5-dimethylpyridine?
The InChIKey is NBZHGWVSBQLDMM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N/c1-5-8(2)11-6-9(3)10(4)7-12-11/h6-8H,5H2,1-4H3/t8-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]-4,5-dimethylpyridine?
2-[(2S)-butan-2-yl]-4,5-dimethylpyridine has a molecular weight of 163.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]-4,5-dimethylpyridine is sourced from PubChem (CID 163020641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).