2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine

C12H19N — CID 166932921

IUPAC2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine
SMILESCC/C(C)=C\C1=C(C)CCC(C)=N1
InChIInChI=1S/C12H19N/c1-5-9(2)8-12-10(3)6-7-11(4)13-12/h8H,5-7H2,1-4H3/b9-8-
InChIKeySLNLUAFYSONCKV-HJWRWDBZSA-N
MW177.29 g/mol
LogP3.87
Rot. Bonds2

About 2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine

2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine (PubChem CID 166932921) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine
PubChem CID166932921
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine
SMILESCC/C(C)=C\C1=C(C)CCC(C)=N1
InChIInChI=1S/C12H19N/c1-5-9(2)8-12-10(3)6-7-11(4)13-12/h8H,5-7H2,1-4H3/b9-8-
InChIKeySLNLUAFYSONCKV-HJWRWDBZSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine?
The IUPAC name of 2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine (CID 166932921) is 2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine.
What is the SMILES notation for 2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine?
The canonical SMILES for 2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine is CC/C(C)=C\C1=C(C)CCC(C)=N1.
What is the InChIKey of 2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine?
The InChIKey is SLNLUAFYSONCKV-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H19N/c1-5-9(2)8-12-10(3)6-7-11(4)13-12/h8H,5-7H2,1-4H3/b9-8-.
What are the key properties of 2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine?
2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine has a molecular weight of 177.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[(Z)-2-methylbut-1-enyl]-3,4-dihydropyridine is sourced from PubChem (CID 166932921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).