4-methyl-1-propan-2-yl-4H-pyridine

C9H15N — CID 134906406

IUPAC4-methyl-1-propan-2-yl-4H-pyridine
SMILESCC1C=CN(C(C)C)C=C1
InChIInChI=1S/C9H15N/c1-8(2)10-6-4-9(3)5-7-10/h4-9H,1-3H3
InChIKeyIJTHYMKYOTWFFZ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.37
Rot. Bonds1

About 4-methyl-1-propan-2-yl-4H-pyridine

4-methyl-1-propan-2-yl-4H-pyridine (PubChem CID 134906406) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-4H-pyridine.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-4H-pyridine
PubChem CID134906406
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-methyl-1-propan-2-yl-4H-pyridine
SMILESCC1C=CN(C(C)C)C=C1
InChIInChI=1S/C9H15N/c1-8(2)10-6-4-9(3)5-7-10/h4-9H,1-3H3
InChIKeyIJTHYMKYOTWFFZ-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-1-propan-2-yl-4H-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

Pyridine, 1,4-dihydro-1-methyl-
CID 141818
1-ethyl-4H-pyridine
CID 12220925
1,4-Dihydro-1,4-dimethylpyridine
CID 12220928
dimethyl-[(E)-3-methyl-but-1-enyl]-amine
CID 13611575
1-propan-2-yl-4H-pyridine
CID 57891989
(E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine
CID 134853882
1-propyl-4H-pyridine
CID 12220926
1-Ethyl-4-methyl-1,4-dihydropyridine
CID 12220930
(E)-N,N-diethyl-3-methylbut-1-en-1-amine
CID 13203915
1,2,3-trimethyl-3,4-dihydro-2H-pyridine
CID 20616045
1,2,4-trimethyl-3,4-dihydro-2H-pyridine
CID 20616047
1-Propan-2-ylpyridine
CID 21040421

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-4H-pyridine?
The IUPAC name of 4-methyl-1-propan-2-yl-4H-pyridine (CID 134906406) is 4-methyl-1-propan-2-yl-4H-pyridine.
What is the SMILES notation for 4-methyl-1-propan-2-yl-4H-pyridine?
The canonical SMILES for 4-methyl-1-propan-2-yl-4H-pyridine is CC1C=CN(C(C)C)C=C1.
What is the InChIKey of 4-methyl-1-propan-2-yl-4H-pyridine?
The InChIKey is IJTHYMKYOTWFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8(2)10-6-4-9(3)5-7-10/h4-9H,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-4H-pyridine?
4-methyl-1-propan-2-yl-4H-pyridine has a molecular weight of 137.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-4H-pyridine is sourced from PubChem (CID 134906406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).