4-methyl-3-propyl-2,3-dihydropyridine

C9H15N — CID 163619431

IUPAC4-methyl-3-propyl-2,3-dihydropyridine
SMILESCCCC1CN=CC=C1C
InChIInChI=1S/C9H15N/c1-3-4-9-7-10-6-5-8(9)2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyHMVKAGFWJVUBBC-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds2

About 4-methyl-3-propyl-2,3-dihydropyridine

4-methyl-3-propyl-2,3-dihydropyridine (PubChem CID 163619431) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-methyl-3-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-methyl-3-propyl-2,3-dihydropyridine
PubChem CID163619431
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-methyl-3-propyl-2,3-dihydropyridine
SMILESCCCC1CN=CC=C1C
InChIInChI=1S/C9H15N/c1-3-4-9-7-10-6-5-8(9)2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyHMVKAGFWJVUBBC-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-3-propyl-2,3-dihydropyridine 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

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine
CID 135127173
4-Methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 172628097
N-[(E)-Methyl](phenyl)-N-[(E)-2-propenylidene]methanaminium
CID 137349817
(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
4-ethyl-3,3-dimethyl-2H-pyridine
CID 21561178
5,6,7,7a-tetrahydro-1H-isoindole
CID 53791560
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
2,6,9,9a-tetrahydro-1H-3-benzazepine
CID 54031920

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propyl-2,3-dihydropyridine?
The IUPAC name of 4-methyl-3-propyl-2,3-dihydropyridine (CID 163619431) is 4-methyl-3-propyl-2,3-dihydropyridine.
What is the SMILES notation for 4-methyl-3-propyl-2,3-dihydropyridine?
The canonical SMILES for 4-methyl-3-propyl-2,3-dihydropyridine is CCCC1CN=CC=C1C.
What is the InChIKey of 4-methyl-3-propyl-2,3-dihydropyridine?
The InChIKey is HMVKAGFWJVUBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-4-9-7-10-6-5-8(9)2/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 4-methyl-3-propyl-2,3-dihydropyridine?
4-methyl-3-propyl-2,3-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propyl-2,3-dihydropyridine is sourced from PubChem (CID 163619431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).