5-methyl-2-[(2S)-2-methylbutyl]pyridine

C11H17N — CID 118944951

IUPAC5-methyl-2-[(2S)-2-methylbutyl]pyridine
SMILESCC[C@H](C)Cc1ccc(C)cn1
InChIInChI=1S/C11H17N/c1-4-9(2)7-11-6-5-10(3)8-12-11/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1
InChIKeyDWNDWHRJAAIXCB-VIFPVBQESA-N
MW163.26 g/mol
LogP2.98
Rot. Bonds3

About 5-methyl-2-[(2S)-2-methylbutyl]pyridine

5-methyl-2-[(2S)-2-methylbutyl]pyridine (PubChem CID 118944951) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-methyl-2-[(2S)-2-methylbutyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(2S)-2-methylbutyl]pyridine
PubChem CID118944951
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-methyl-2-[(2S)-2-methylbutyl]pyridine
SMILESCC[C@H](C)Cc1ccc(C)cn1
InChIInChI=1S/C11H17N/c1-4-9(2)7-11-6-5-10(3)8-12-11/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1
InChIKeyDWNDWHRJAAIXCB-VIFPVBQESA-N
XLogP2.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-methylhexyl)-5-methylpyridine
CID 114877611
N-methyl-1-(5-methyl-2-pyridinyl)butan-2-amine
CID 63201914
N-ethyl-3,4-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-amine
CID 66447905
2-(2-chloro-3-methylhexyl)-5-methylpyridine
CID 66461421
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol
CID 66459924
2-(2-bromohexyl)-5-methylpyridine
CID 66453150
1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 83442584
5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752
1-cyclopentyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446145
1,1-dicyclopropyl-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 112745195
5-methyl-2-(3-methylbutyl)pyridine;hydrochloride
CID 172742279

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2S)-2-methylbutyl]pyridine?
The IUPAC name of 5-methyl-2-[(2S)-2-methylbutyl]pyridine (CID 118944951) is 5-methyl-2-[(2S)-2-methylbutyl]pyridine.
What is the SMILES notation for 5-methyl-2-[(2S)-2-methylbutyl]pyridine?
The canonical SMILES for 5-methyl-2-[(2S)-2-methylbutyl]pyridine is CC[C@H](C)Cc1ccc(C)cn1.
What is the InChIKey of 5-methyl-2-[(2S)-2-methylbutyl]pyridine?
The InChIKey is DWNDWHRJAAIXCB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N/c1-4-9(2)7-11-6-5-10(3)8-12-11/h5-6,8-9H,4,7H2,1-3H3/t9-/m0/s1.
What are the key properties of 5-methyl-2-[(2S)-2-methylbutyl]pyridine?
5-methyl-2-[(2S)-2-methylbutyl]pyridine has a molecular weight of 163.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2S)-2-methylbutyl]pyridine is sourced from PubChem (CID 118944951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).