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

C9H15N — CID 123260541

IUPAC3-methyl-2-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1N=CC=CC1C
InChIInChI=1S/C9H15N/c1-7(2)9-8(3)5-4-6-10-9/h4-9H,1-3H3
InChIKeyIUKKMTKNRQXDFV-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.29
Rot. Bonds1

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

3-methyl-2-propan-2-yl-2,3-dihydropyridine (PubChem CID 123260541) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-2,3-dihydropyridine
PubChem CID123260541
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-methyl-2-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1N=CC=CC1C
InChIInChI=1S/C9H15N/c1-7(2)9-8(3)5-4-6-10-9/h4-9H,1-3H3
InChIKeyIUKKMTKNRQXDFV-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 3-methyl-2-propan-2-yl-2,3-dihydropyridine (CID 123260541) is 3-methyl-2-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 3-methyl-2-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 3-methyl-2-propan-2-yl-2,3-dihydropyridine is CC(C)C1N=CC=CC1C.
What is the InChIKey of 3-methyl-2-propan-2-yl-2,3-dihydropyridine?
The InChIKey is IUKKMTKNRQXDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9-8(3)5-4-6-10-9/h4-9H,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-2,3-dihydropyridine?
3-methyl-2-propan-2-yl-2,3-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 123260541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).