1-butyl-2,3-dimethyl-2H-pyridine

C11H19N — CID 21495188

IUPAC1-butyl-2,3-dimethyl-2H-pyridine
SMILESCCCCN1C=CC=C(C)C1C
InChIInChI=1S/C11H19N/c1-4-5-8-12-9-6-7-10(2)11(12)3/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyFXVDATCDWXCCIL-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.95
Rot. Bonds3

About 1-butyl-2,3-dimethyl-2H-pyridine

1-butyl-2,3-dimethyl-2H-pyridine (PubChem CID 21495188) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-butyl-2,3-dimethyl-2H-pyridine.

Molecular Properties

Compound Name1-butyl-2,3-dimethyl-2H-pyridine
PubChem CID21495188
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-butyl-2,3-dimethyl-2H-pyridine
SMILESCCCCN1C=CC=C(C)C1C
InChIInChI=1S/C11H19N/c1-4-5-8-12-9-6-7-10(2)11(12)3/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyFXVDATCDWXCCIL-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-1-propyl-2H-pyridine;hydrochloride
CID 174900251
1-(2,3-dimethyl-2H-pyridin-1-yl)propan-2-one
CID 129017777
1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330974
1-hexyl-2-methyl-2H-pyridine
CID 141126590
1-butyl-2-methyl-3-nonyl-2H-imidazole
CID 69387396
1-butyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69390686
1-butyl-2,3-dimethyl-2H-imidazol-4-ol
CID 175203047
1-hexadecyl-2-methyl-2H-pyridine;hydrochloride
CID 174781716
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3-dimethyl-2H-pyridine?
The IUPAC name of 1-butyl-2,3-dimethyl-2H-pyridine (CID 21495188) is 1-butyl-2,3-dimethyl-2H-pyridine.
What is the SMILES notation for 1-butyl-2,3-dimethyl-2H-pyridine?
The canonical SMILES for 1-butyl-2,3-dimethyl-2H-pyridine is CCCCN1C=CC=C(C)C1C.
What is the InChIKey of 1-butyl-2,3-dimethyl-2H-pyridine?
The InChIKey is FXVDATCDWXCCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-5-8-12-9-6-7-10(2)11(12)3/h6-7,9,11H,4-5,8H2,1-3H3.
What are the key properties of 1-butyl-2,3-dimethyl-2H-pyridine?
1-butyl-2,3-dimethyl-2H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dimethyl-2H-pyridine is sourced from PubChem (CID 21495188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).