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

C10H17N — CID 20650803

IUPAC1-butyl-4-methyl-2H-pyridine
SMILESCCCCN1C=CC(C)=CC1
InChIInChI=1S/C10H17N/c1-3-4-7-11-8-5-10(2)6-9-11/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyCDXLWOUTFCMPDM-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds3

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

1-butyl-4-methyl-2H-pyridine (PubChem CID 20650803) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-butyl-4-methyl-2H-pyridine.

Molecular Properties

Compound Name1-butyl-4-methyl-2H-pyridine
PubChem CID20650803
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-butyl-4-methyl-2H-pyridine
SMILESCCCCN1C=CC(C)=CC1
InChIInChI=1S/C10H17N/c1-3-4-7-11-8-5-10(2)6-9-11/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyCDXLWOUTFCMPDM-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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-2H-pyridine?
The IUPAC name of 1-butyl-4-methyl-2H-pyridine (CID 20650803) is 1-butyl-4-methyl-2H-pyridine.
What is the SMILES notation for 1-butyl-4-methyl-2H-pyridine?
The canonical SMILES for 1-butyl-4-methyl-2H-pyridine is CCCCN1C=CC(C)=CC1.
What is the InChIKey of 1-butyl-4-methyl-2H-pyridine?
The InChIKey is CDXLWOUTFCMPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-7-11-8-5-10(2)6-9-11/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of 1-butyl-4-methyl-2H-pyridine?
1-butyl-4-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-4-methyl-2H-pyridine is sourced from PubChem (CID 20650803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).