3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine

C14H25N — CID 154973454

IUPAC3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine
SMILESCCC1=CN=CC(CC(C)(C)CC)C1C
InChIInChI=1S/C14H25N/c1-6-12-9-15-10-13(11(12)3)8-14(4,5)7-2/h9-11,13H,6-8H2,1-5H3
InChIKeyYEYWJLHUSSFZTI-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.44
Rot. Bonds4

About 3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine

3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine (PubChem CID 154973454) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine
PubChem CID154973454
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine
SMILESCCC1=CN=CC(CC(C)(C)CC)C1C
InChIInChI=1S/C14H25N/c1-6-12-9-15-10-13(11(12)3)8-14(4,5)7-2/h9-11,13H,6-8H2,1-5H3
InChIKeyYEYWJLHUSSFZTI-UHFFFAOYSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine?
The IUPAC name of 3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine (CID 154973454) is 3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine.
What is the SMILES notation for 3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine?
The canonical SMILES for 3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine is CCC1=CN=CC(CC(C)(C)CC)C1C.
What is the InChIKey of 3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine?
The InChIKey is YEYWJLHUSSFZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-6-12-9-15-10-13(11(12)3)8-14(4,5)7-2/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine?
3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutyl)-5-ethyl-4-methyl-3,4-dihydropyridine is sourced from PubChem (CID 154973454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).