4-butan-2-yl-3-methylpyridine

C10H15N — CID 66641815

IUPAC4-butan-2-yl-3-methylpyridine
SMILESCCC(C)c1ccncc1C
InChIInChI=1S/C10H15N/c1-4-8(2)10-5-6-11-7-9(10)3/h5-8H,4H2,1-3H3
InChIKeyGCPBCORMKUHRLK-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.90
Rot. Bonds2

About 4-butan-2-yl-3-methylpyridine

4-butan-2-yl-3-methylpyridine (PubChem CID 66641815) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-butan-2-yl-3-methylpyridine.

Molecular Properties

Compound Name4-butan-2-yl-3-methylpyridine
PubChem CID66641815
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-butan-2-yl-3-methylpyridine
SMILESCCC(C)c1ccncc1C
InChIInChI=1S/C10H15N/c1-4-8(2)10-5-6-11-7-9(10)3/h5-8H,4H2,1-3H3
InChIKeyGCPBCORMKUHRLK-UHFFFAOYSA-N
XLogP2.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-4-pentan-2-ylpyridine
CID 143325066
4-(4-cyclohexylbutan-2-yl)-3-methylpyridine
CID 21279033
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine
CID 14883798
1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371
2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine
CID 107896816
3-bromo-1-(3-methyl-4-pyridinyl)propane-1,2-diol
CID 171859479
(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 130039959
1-(3-methyl-4-pyridinyl)pentylhydrazine
CID 105261719
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid
CID 79366521

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-methylpyridine?
The IUPAC name of 4-butan-2-yl-3-methylpyridine (CID 66641815) is 4-butan-2-yl-3-methylpyridine.
What is the SMILES notation for 4-butan-2-yl-3-methylpyridine?
The canonical SMILES for 4-butan-2-yl-3-methylpyridine is CCC(C)c1ccncc1C.
What is the InChIKey of 4-butan-2-yl-3-methylpyridine?
The InChIKey is GCPBCORMKUHRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-4-8(2)10-5-6-11-7-9(10)3/h5-8H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-3-methylpyridine?
4-butan-2-yl-3-methylpyridine has a molecular weight of 149.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-methylpyridine is sourced from PubChem (CID 66641815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).