2-methyl-5-propan-2-yl-3,4-dihydropyridine

C9H15N — CID 91109282

IUPAC2-methyl-5-propan-2-yl-3,4-dihydropyridine
SMILESCC1=NC=C(C(C)C)CC1
InChIInChI=1S/C9H15N/c1-7(2)9-5-4-8(3)10-6-9/h6-7H,4-5H2,1-3H3
InChIKeyQZUDUCLXDWNDDH-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.78
Rot. Bonds1

About 2-methyl-5-propan-2-yl-3,4-dihydropyridine

2-methyl-5-propan-2-yl-3,4-dihydropyridine (PubChem CID 91109282) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-3,4-dihydropyridine
PubChem CID91109282
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-methyl-5-propan-2-yl-3,4-dihydropyridine
SMILESCC1=NC=C(C(C)C)CC1
InChIInChI=1S/C9H15N/c1-7(2)9-5-4-8(3)10-6-9/h6-7H,4-5H2,1-3H3
InChIKeyQZUDUCLXDWNDDH-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 145484033
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
2,4-Dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 148775053
2-Ethyl-5-fluoro-4-methyl-3,4-dihydropyridine
CID 156207077
2-(1-Fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
CID 170274335
5-Propan-2-yl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 148760586
2-Propan-2-yl-3,4-dihydropyridine
CID 14979254
5-Propan-2-yl-3,4-dihydropyridine
CID 14979266
2-methyl-4-propan-2-yl-3H-pyrrole
CID 20745704
2-tert-butyl-4-propan-2-yl-3H-pyrrole
CID 58490892
2,4-ditert-butyl-3H-pyrrole
CID 59825006
4-methyl-2-propan-2-yl-3H-pyrrole
CID 60081030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 2-methyl-5-propan-2-yl-3,4-dihydropyridine (CID 91109282) is 2-methyl-5-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 2-methyl-5-propan-2-yl-3,4-dihydropyridine is CC1=NC=C(C(C)C)CC1.
What is the InChIKey of 2-methyl-5-propan-2-yl-3,4-dihydropyridine?
The InChIKey is QZUDUCLXDWNDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9-5-4-8(3)10-6-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-3,4-dihydropyridine?
2-methyl-5-propan-2-yl-3,4-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 91109282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).