1-butyl-3-methyl-2H-pyridine;hydrochloride

C10H18ClN — CID 141422945

IUPAC1-butyl-3-methyl-2H-pyridine;hydrochloride
SMILESCCCCN1C=CC=C(C)C1.Cl
InChIInChI=1S/C10H17N.ClH/c1-3-4-7-11-8-5-6-10(2)9-11;/h5-6,8H,3-4,7,9H2,1-2H3;1H
InChIKeyBJDYFAPUBQTLPQ-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.98
Rot. Bonds3

About 1-butyl-3-methyl-2H-pyridine;hydrochloride

1-butyl-3-methyl-2H-pyridine;hydrochloride (PubChem CID 141422945) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-pyridine;hydrochloride
PubChem CID141422945
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name1-butyl-3-methyl-2H-pyridine;hydrochloride
SMILESCCCCN1C=CC=C(C)C1.Cl
InChIInChI=1S/C10H17N.ClH/c1-3-4-7-11-8-5-6-10(2)9-11;/h5-6,8H,3-4,7,9H2,1-2H3;1H
InChIKeyBJDYFAPUBQTLPQ-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butyl-3-methyl-2H-pyridine;hydrochloride 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

1,3-Dimethylpyridine
CID 12437839
n-Butylpyridine
CID 17938176
1-Butyl-1-methylpyridinium chloride
CID 19979781
N-butyl-4-methylpyridine
CID 20650803
4-vinyl-N-ethylpyridine
CID 22178796
1-Butyl-4-(dimethylamino)pyridine
CID 23048244
3-Methyl-1-butylpyridine
CID 66729190
1-Butyl-pyridine hydrochloride
CID 141072734
1-Hexyl-3-methyl pyridine
CID 141117286
1-butyl-3-methyl-2H-pyridine;fluoroform
CID 159896996
Piperidine, 1-[4-methyl-1,3-pentadien-1-yl]-
CID 91711582
3-ethenyl-1-methyl-2H-pyridine
CID 17846906

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-pyridine;hydrochloride?
The IUPAC name of 1-butyl-3-methyl-2H-pyridine;hydrochloride (CID 141422945) is 1-butyl-3-methyl-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-butyl-3-methyl-2H-pyridine;hydrochloride?
The canonical SMILES for 1-butyl-3-methyl-2H-pyridine;hydrochloride is CCCCN1C=CC=C(C)C1.Cl.
What is the InChIKey of 1-butyl-3-methyl-2H-pyridine;hydrochloride?
The InChIKey is BJDYFAPUBQTLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.ClH/c1-3-4-7-11-8-5-6-10(2)9-11;/h5-6,8H,3-4,7,9H2,1-2H3;1H.
What are the key properties of 1-butyl-3-methyl-2H-pyridine;hydrochloride?
1-butyl-3-methyl-2H-pyridine;hydrochloride has a molecular weight of 187.71 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-pyridine;hydrochloride is sourced from PubChem (CID 141422945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).