2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine

C11H19N — CID 144892280

IUPAC2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine
SMILESCCC(C)CC1=CCCC(C)=N1
InChIInChI=1S/C11H19N/c1-4-9(2)8-11-7-5-6-10(3)12-11/h7,9H,4-6,8H2,1-3H3
InChIKeyOUYHJNAZVWQERI-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.56
Rot. Bonds3

About 2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine

2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine (PubChem CID 144892280) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine
PubChem CID144892280
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine
SMILESCCC(C)CC1=CCCC(C)=N1
InChIInChI=1S/C11H19N/c1-4-9(2)8-11-7-5-6-10(3)12-11/h7,9H,4-6,8H2,1-3H3
InChIKeyOUYHJNAZVWQERI-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine?
The IUPAC name of 2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine (CID 144892280) is 2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine?
The canonical SMILES for 2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine is CCC(C)CC1=CCCC(C)=N1.
What is the InChIKey of 2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine?
The InChIKey is OUYHJNAZVWQERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-9(2)8-11-7-5-6-10(3)12-11/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine?
2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylbutyl)-3,4-dihydropyridine is sourced from PubChem (CID 144892280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).