4,5-dimethyl-2-pentan-3-ylpyridine

C12H19N — CID 126754894

IUPAC4,5-dimethyl-2-pentan-3-ylpyridine
SMILESCCC(CC)c1cc(C)c(C)cn1
InChIInChI=1S/C12H19N/c1-5-11(6-2)12-7-9(3)10(4)8-13-12/h7-8,11H,5-6H2,1-4H3
InChIKeyYIWDXMJKLSGYEA-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.60
Rot. Bonds3

About 4,5-dimethyl-2-pentan-3-ylpyridine

4,5-dimethyl-2-pentan-3-ylpyridine (PubChem CID 126754894) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-pentan-3-ylpyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-pentan-3-ylpyridine
PubChem CID126754894
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4,5-dimethyl-2-pentan-3-ylpyridine
SMILESCCC(CC)c1cc(C)c(C)cn1
InChIInChI=1S/C12H19N/c1-5-11(6-2)12-7-9(3)10(4)8-13-12/h7-8,11H,5-6H2,1-4H3
InChIKeyYIWDXMJKLSGYEA-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dimethyl-2-nonan-3-ylpyridine
CID 170346032
2-[(2S)-butan-2-yl]-4,5-dimethylpyridine
CID 163020641
5-ethyl-4-methyl-2-octan-3-ylpyridine
CID 174324902
1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol
CID 166123454
(1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol
CID 166123718
2-(difluoromethyl)-5-ethyl-4-methylpyridine
CID 176699020
5-methyl-2-pentan-3-ylpyrimidine
CID 91611404
(4,5-dimethyl-2-pyridinyl)methanol
CID 14296060
2-fluoro-4,5-dimethylpyridine
CID 51600276
1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 43158847
(1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine
CID 130624745
4,5-dimethylpyridine-2-carboxamide
CID 158335176

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pentan-3-ylpyridine?
The IUPAC name of 4,5-dimethyl-2-pentan-3-ylpyridine (CID 126754894) is 4,5-dimethyl-2-pentan-3-ylpyridine.
What is the SMILES notation for 4,5-dimethyl-2-pentan-3-ylpyridine?
The canonical SMILES for 4,5-dimethyl-2-pentan-3-ylpyridine is CCC(CC)c1cc(C)c(C)cn1.
What is the InChIKey of 4,5-dimethyl-2-pentan-3-ylpyridine?
The InChIKey is YIWDXMJKLSGYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-11(6-2)12-7-9(3)10(4)8-13-12/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-pentan-3-ylpyridine?
4,5-dimethyl-2-pentan-3-ylpyridine has a molecular weight of 177.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pentan-3-ylpyridine is sourced from PubChem (CID 126754894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).