2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine

C11H19N — CID 154974107

IUPAC2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine
SMILESCC1C=CN=C(CC(C)(C)C)C1
InChIInChI=1S/C11H19N/c1-9-5-6-12-10(7-9)8-11(2,3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyGYVYZXVRYWIBLP-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.42
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine

2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine (PubChem CID 154974107) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine
PubChem CID154974107
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine
SMILESCC1C=CN=C(CC(C)(C)C)C1
InChIInChI=1S/C11H19N/c1-9-5-6-12-10(7-9)8-11(2,3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyGYVYZXVRYWIBLP-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine (CID 154974107) is 2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine is CC1C=CN=C(CC(C)(C)C)C1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine?
The InChIKey is GYVYZXVRYWIBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9-5-6-12-10(7-9)8-11(2,3)4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine?
2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-methyl-3,4-dihydropyridine is sourced from PubChem (CID 154974107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).