3-methyl-4-propan-2-yl-3,4-dihydropyridine

C9H15N — CID 167065496

IUPAC3-methyl-4-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1C=CN=CC1C
InChIInChI=1S/C9H15N/c1-7(2)9-4-5-10-6-8(9)3/h4-9H,1-3H3
InChIKeyVLJQCSZDGKZNCQ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.49
Rot. Bonds1

About 3-methyl-4-propan-2-yl-3,4-dihydropyridine

3-methyl-4-propan-2-yl-3,4-dihydropyridine (PubChem CID 167065496) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-3,4-dihydropyridine
PubChem CID167065496
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-methyl-4-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)C1C=CN=CC1C
InChIInChI=1S/C9H15N/c1-7(2)9-4-5-10-6-8(9)3/h4-9H,1-3H3
InChIKeyVLJQCSZDGKZNCQ-UHFFFAOYSA-N
XLogP2.49
TPSA12.36 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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-4-propan-2-yl-3,4-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

(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine
CID 166673263
4-Vinyl-4-ethyl-pyridine
CID 129787413
4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine
CID 175392976
4-Methyl-3,4-dihydropyridine
CID 14979260
4-Ethyl-3,4-dihydropyridine
CID 14979261
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
4-Tert-butyl-3,4-dihydropyridine
CID 14979263
3-Methyl-3,4-dihydropyridine
CID 14979268
3-Ethyl-3,4-dihydropyridine
CID 14979269
3-Tert-butyl-3,4-dihydropyridine
CID 14979271
5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine
CID 21921788
3,4-Dimethyl-3,4-dihydropyridine
CID 22965950

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 3-methyl-4-propan-2-yl-3,4-dihydropyridine (CID 167065496) is 3-methyl-4-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 3-methyl-4-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 3-methyl-4-propan-2-yl-3,4-dihydropyridine is CC(C)C1C=CN=CC1C.
What is the InChIKey of 3-methyl-4-propan-2-yl-3,4-dihydropyridine?
The InChIKey is VLJQCSZDGKZNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9-4-5-10-6-8(9)3/h4-9H,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yl-3,4-dihydropyridine?
3-methyl-4-propan-2-yl-3,4-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 167065496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).