4-methyl-2-pentylpyridine

C11H17N — CID 3020010

IUPAC4-methyl-2-pentylpyridine
SMILESCCCCCc1cc(C)ccn1
InChIInChI=1S/C11H17N/c1-3-4-5-6-11-9-10(2)7-8-12-11/h7-9H,3-6H2,1-2H3
InChIKeyFILVPVLQGMBYPS-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.12
Rot. Bonds4

About 4-methyl-2-pentylpyridine

4-methyl-2-pentylpyridine (PubChem CID 3020010) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-methyl-2-pentylpyridine.

Molecular Properties

Compound Name4-methyl-2-pentylpyridine
PubChem CID3020010
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-methyl-2-pentylpyridine
SMILESCCCCCc1cc(C)ccn1
InChIInChI=1S/C11H17N/c1-3-4-5-6-11-9-10(2)7-8-12-11/h7-9H,3-6H2,1-2H3
InChIKeyFILVPVLQGMBYPS-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 205586
3-Methylpyridine
CID 7970
(+-)-Dimethindene
CID 21855
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Quinoline
CID 7047
4-Methylpyridine
CID 7963
2,2'-Bipyridine
CID 1474

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentylpyridine?
The IUPAC name of 4-methyl-2-pentylpyridine (CID 3020010) is 4-methyl-2-pentylpyridine.
What is the SMILES notation for 4-methyl-2-pentylpyridine?
The canonical SMILES for 4-methyl-2-pentylpyridine is CCCCCc1cc(C)ccn1.
What is the InChIKey of 4-methyl-2-pentylpyridine?
The InChIKey is FILVPVLQGMBYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-5-6-11-9-10(2)7-8-12-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-pentylpyridine?
4-methyl-2-pentylpyridine has a molecular weight of 163.26 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentylpyridine is sourced from PubChem (CID 3020010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).