1-methyl-3-propyl-2H-pyridine

C9H15N — CID 123438027

IUPAC1-methyl-3-propyl-2H-pyridine
SMILESCCCC1=CC=CN(C)C1
InChIInChI=1S/C9H15N/c1-3-5-9-6-4-7-10(2)8-9/h4,6-7H,3,5,8H2,1-2H3
InChIKeyNTTUODYCJKSNPV-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.17
Rot. Bonds2

About 1-methyl-3-propyl-2H-pyridine

1-methyl-3-propyl-2H-pyridine (PubChem CID 123438027) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-methyl-3-propyl-2H-pyridine.

Molecular Properties

Compound Name1-methyl-3-propyl-2H-pyridine
PubChem CID123438027
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-methyl-3-propyl-2H-pyridine
SMILESCCCC1=CC=CN(C)C1
InChIInChI=1S/C9H15N/c1-3-5-9-6-4-7-10(2)8-9/h4,6-7H,3,5,8H2,1-2H3
InChIKeyNTTUODYCJKSNPV-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-3-propyl-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-methyl-3-propyl-2H-pyridine?
The IUPAC name of 1-methyl-3-propyl-2H-pyridine (CID 123438027) is 1-methyl-3-propyl-2H-pyridine.
What is the SMILES notation for 1-methyl-3-propyl-2H-pyridine?
The canonical SMILES for 1-methyl-3-propyl-2H-pyridine is CCCC1=CC=CN(C)C1.
What is the InChIKey of 1-methyl-3-propyl-2H-pyridine?
The InChIKey is NTTUODYCJKSNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-5-9-6-4-7-10(2)8-9/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of 1-methyl-3-propyl-2H-pyridine?
1-methyl-3-propyl-2H-pyridine has a molecular weight of 137.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-2H-pyridine is sourced from PubChem (CID 123438027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).