4-butyl-1-methyl-2H-pyridine

C10H17N — CID 91367554

IUPAC4-butyl-1-methyl-2H-pyridine
SMILESCCCCC1=CCN(C)C=C1
InChIInChI=1S/C10H17N/c1-3-4-5-10-6-8-11(2)9-7-10/h6-8H,3-5,9H2,1-2H3
InChIKeyYXVDVEFURMBRNJ-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds3

About 4-butyl-1-methyl-2H-pyridine

4-butyl-1-methyl-2H-pyridine (PubChem CID 91367554) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-butyl-1-methyl-2H-pyridine.

Molecular Properties

Compound Name4-butyl-1-methyl-2H-pyridine
PubChem CID91367554
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-butyl-1-methyl-2H-pyridine
SMILESCCCCC1=CCN(C)C=C1
InChIInChI=1S/C10H17N/c1-3-4-5-10-6-8-11(2)9-7-10/h6-8H,3-5,9H2,1-2H3
InChIKeyYXVDVEFURMBRNJ-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 4-butyl-1-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

Related Compounds

3-Ethyl-1-methyl-1,2-dihydropyridine
CID 12506166
5-ethyl-1-methyl-2H-pyridine
CID 12506167
1,1'-Dimethyl-1,1',2,2'-tetrahydro-4,4'-bipyridine
CID 20406507
n-Methyl-4-vinylpyridine
CID 22463631
1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine
CID 91592263
n-Butyl-n-methylpyridine
CID 154224413
(2Z,4E)-N-ethenyl-4-(2-fluoropropan-2-yl)-N-methylhexa-2,4-dien-1-amine
CID 166651513
1-ethyl-3-(2-fluoroethyl)-5-methyl-4-methylidene-2-[(Z)-prop-1-enyl]pyridine
CID 167018846
1-methyl-3-(2-methylidenebutyl)-4-(trifluoromethyl)-2H-pyridine
CID 170587751
(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylocta-1,3-dien-1-amine
CID 13204017
(1E,3E)-8-cyclopenta-2,4-dien-1-ylidene-N,N-diethylnona-1,3-dien-1-amine
CID 13204019
(1Z)-1-cyclohex-3-en-1-ylidene-N,N-dimethylmethanamine
CID 88727379

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methyl-2H-pyridine?
The IUPAC name of 4-butyl-1-methyl-2H-pyridine (CID 91367554) is 4-butyl-1-methyl-2H-pyridine.
What is the SMILES notation for 4-butyl-1-methyl-2H-pyridine?
The canonical SMILES for 4-butyl-1-methyl-2H-pyridine is CCCCC1=CCN(C)C=C1.
What is the InChIKey of 4-butyl-1-methyl-2H-pyridine?
The InChIKey is YXVDVEFURMBRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-5-10-6-8-11(2)9-7-10/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 4-butyl-1-methyl-2H-pyridine?
4-butyl-1-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 4-butyl-1-methyl-2H-pyridine is sourced from PubChem (CID 91367554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).