4-methyl-6-propan-2-yl-2,3-dihydropyridine

C9H15N — CID 90745875

IUPAC4-methyl-6-propan-2-yl-2,3-dihydropyridine
SMILESCC1=CC(C(C)C)=NCC1
InChIInChI=1S/C9H15N/c1-7(2)9-6-8(3)4-5-10-9/h6-7H,4-5H2,1-3H3
InChIKeyAMMLGLNHLUGSCT-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About 4-methyl-6-propan-2-yl-2,3-dihydropyridine

4-methyl-6-propan-2-yl-2,3-dihydropyridine (PubChem CID 90745875) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-2,3-dihydropyridine
PubChem CID90745875
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-methyl-6-propan-2-yl-2,3-dihydropyridine
SMILESCC1=CC(C(C)C)=NCC1
InChIInChI=1S/C9H15N/c1-7(2)9-6-8(3)4-5-10-9/h6-7H,4-5H2,1-3H3
InChIKeyAMMLGLNHLUGSCT-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 90820070
6-(Difluoromethyl)-5-ethenyl-3-ethyl-2,3-dihydropyridine
CID 90977674
6-Ethyl-5-fluoro-3-methyl-2,3-dihydropyridine
CID 91228283
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
3-Fluoro-6-propan-2-yl-2,3-dihydropyridine
CID 144060413
4,6-Dimethyl-2,3-dihydropyridine
CID 20753020
2,4,6-Trimethyl-2,3-dihydropyridine
CID 53631314
3,5-Diethyl-2,3-dihydropyridine
CID 54235037
3,5-Diethyl-2,5-dihydropyridine
CID 57046703
3-propan-2-yl-2H-indole
CID 57642411
5,6-Dimethyl-2,3-dihydropyridine
CID 57840662

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 4-methyl-6-propan-2-yl-2,3-dihydropyridine (CID 90745875) is 4-methyl-6-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 4-methyl-6-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 4-methyl-6-propan-2-yl-2,3-dihydropyridine is CC1=CC(C(C)C)=NCC1.
What is the InChIKey of 4-methyl-6-propan-2-yl-2,3-dihydropyridine?
The InChIKey is AMMLGLNHLUGSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9-6-8(3)4-5-10-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yl-2,3-dihydropyridine?
4-methyl-6-propan-2-yl-2,3-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 90745875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).