1-butyl-6-methyl-2H-pyridine

C10H17N — CID 54545862

IUPAC1-butyl-6-methyl-2H-pyridine
SMILESCCCCN1CC=CC=C1C
InChIInChI=1S/C10H17N/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyZGMBAVSMMOKIHF-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds3

About 1-butyl-6-methyl-2H-pyridine

1-butyl-6-methyl-2H-pyridine (PubChem CID 54545862) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-butyl-6-methyl-2H-pyridine.

Molecular Properties

Compound Name1-butyl-6-methyl-2H-pyridine
PubChem CID54545862
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-butyl-6-methyl-2H-pyridine
SMILESCCCCN1CC=CC=C1C
InChIInChI=1S/C10H17N/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyZGMBAVSMMOKIHF-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butyl-6-methyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methyl-2H-pyridine?
The IUPAC name of 1-butyl-6-methyl-2H-pyridine (CID 54545862) is 1-butyl-6-methyl-2H-pyridine.
What is the SMILES notation for 1-butyl-6-methyl-2H-pyridine?
The canonical SMILES for 1-butyl-6-methyl-2H-pyridine is CCCCN1CC=CC=C1C.
What is the InChIKey of 1-butyl-6-methyl-2H-pyridine?
The InChIKey is ZGMBAVSMMOKIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 1-butyl-6-methyl-2H-pyridine?
1-butyl-6-methyl-2H-pyridine has a molecular weight of 151.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methyl-2H-pyridine is sourced from PubChem (CID 54545862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).