3-methyl-4-pentan-2-ylpyridine

C11H17N — CID 143325066

IUPAC3-methyl-4-pentan-2-ylpyridine
SMILESCCCC(C)c1ccncc1C
InChIInChI=1S/C11H17N/c1-4-5-9(2)11-6-7-12-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKeyWXHRNTJWIRCRIJ-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.29
Rot. Bonds3

About 3-methyl-4-pentan-2-ylpyridine

3-methyl-4-pentan-2-ylpyridine (PubChem CID 143325066) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-methyl-4-pentan-2-ylpyridine.

Molecular Properties

Compound Name3-methyl-4-pentan-2-ylpyridine
PubChem CID143325066
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-methyl-4-pentan-2-ylpyridine
SMILESCCCC(C)c1ccncc1C
InChIInChI=1S/C11H17N/c1-4-5-9(2)11-6-7-12-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKeyWXHRNTJWIRCRIJ-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-butan-2-yl-3-methylpyridine
CID 66641815
2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine
CID 107896816
4-(4-cyclohexylbutan-2-yl)-3-methylpyridine
CID 21279033
4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine
CID 14883798
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-(3-methyl-4-pyridinyl)pentylhydrazine
CID 105261719
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
N,2-dimethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 105006266
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine
CID 104739414
4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880754

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pentan-2-ylpyridine?
The IUPAC name of 3-methyl-4-pentan-2-ylpyridine (CID 143325066) is 3-methyl-4-pentan-2-ylpyridine.
What is the SMILES notation for 3-methyl-4-pentan-2-ylpyridine?
The canonical SMILES for 3-methyl-4-pentan-2-ylpyridine is CCCC(C)c1ccncc1C.
What is the InChIKey of 3-methyl-4-pentan-2-ylpyridine?
The InChIKey is WXHRNTJWIRCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-5-9(2)11-6-7-12-8-10(11)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-methyl-4-pentan-2-ylpyridine?
3-methyl-4-pentan-2-ylpyridine has a molecular weight of 163.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pentan-2-ylpyridine is sourced from PubChem (CID 143325066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).