2-butan-2-yl-5-methyl-3,4-dihydropyridine

C10H17N — CID 89004526

IUPAC2-butan-2-yl-5-methyl-3,4-dihydropyridine
SMILESCCC(C)C1=NC=C(C)CC1
InChIInChI=1S/C10H17N/c1-4-9(3)10-6-5-8(2)7-11-10/h7,9H,4-6H2,1-3H3
InChIKeyVRIYMWAVJLHLBJ-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds2

About 2-butan-2-yl-5-methyl-3,4-dihydropyridine

2-butan-2-yl-5-methyl-3,4-dihydropyridine (PubChem CID 89004526) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-butan-2-yl-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-butan-2-yl-5-methyl-3,4-dihydropyridine
PubChem CID89004526
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-butan-2-yl-5-methyl-3,4-dihydropyridine
SMILESCCC(C)C1=NC=C(C)CC1
InChIInChI=1S/C10H17N/c1-4-9(3)10-6-5-8(2)7-11-10/h7,9H,4-6H2,1-3H3
InChIKeyVRIYMWAVJLHLBJ-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-methyl-3,4-dihydropyridine?
The IUPAC name of 2-butan-2-yl-5-methyl-3,4-dihydropyridine (CID 89004526) is 2-butan-2-yl-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-butan-2-yl-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-butan-2-yl-5-methyl-3,4-dihydropyridine is CCC(C)C1=NC=C(C)CC1.
What is the InChIKey of 2-butan-2-yl-5-methyl-3,4-dihydropyridine?
The InChIKey is VRIYMWAVJLHLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-9(3)10-6-5-8(2)7-11-10/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-methyl-3,4-dihydropyridine?
2-butan-2-yl-5-methyl-3,4-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 89004526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).