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

C9H15N — CID 91423818

IUPAC5-methyl-6-propan-2-yl-3,4-dihydropyridine
SMILESCC1=C(C(C)C)N=CCC1
InChIInChI=1S/C9H15N/c1-7(2)9-8(3)5-4-6-10-9/h6-7H,4-5H2,1-3H3
InChIKeyKRSVKCAGJOGRQO-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.78
Rot. Bonds1

About 5-methyl-6-propan-2-yl-3,4-dihydropyridine

5-methyl-6-propan-2-yl-3,4-dihydropyridine (PubChem CID 91423818) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-3,4-dihydropyridine
PubChem CID91423818
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-methyl-6-propan-2-yl-3,4-dihydropyridine
SMILESCC1=C(C(C)C)N=CCC1
InChIInChI=1S/C9H15N/c1-7(2)9-8(3)5-4-6-10-9/h6-7H,4-5H2,1-3H3
InChIKeyKRSVKCAGJOGRQO-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

4,5,6-Trimethyl-3,4-dihydropyridine
CID 88976975
6-Methyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 134593924
5-Fluoro-3,6-dimethyl-3,4-dihydropyridine
CID 156370007
6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
4-ethyl-5-methyl-3H-pyrrole
CID 20767300
4,5-di(propan-2-yl)-3H-pyrrole
CID 22891059
4,5-dimethyl-3H-pyrrole
CID 54481464
5-methyl-4-propan-2-yl-3H-pyrrole
CID 58525265
4-methyl-5-propan-2-yl-3H-pyrrole
CID 58574277
CID 58757170
CID 58757170
3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 59359592
5,6-Dimethyl-3,4-dihydropyridine
CID 68338056

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 5-methyl-6-propan-2-yl-3,4-dihydropyridine (CID 91423818) is 5-methyl-6-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 5-methyl-6-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 5-methyl-6-propan-2-yl-3,4-dihydropyridine is CC1=C(C(C)C)N=CCC1.
What is the InChIKey of 5-methyl-6-propan-2-yl-3,4-dihydropyridine?
The InChIKey is KRSVKCAGJOGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9-8(3)5-4-6-10-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yl-3,4-dihydropyridine?
5-methyl-6-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 5-methyl-6-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 91423818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).