6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine

C12H21N — CID 170267521

IUPAC6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)CC1=CCC(C(C)C)C=N1
InChIInChI=1S/C12H21N/c1-9(2)7-12-6-5-11(8-13-12)10(3)4/h6,8-11H,5,7H2,1-4H3
InChIKeyZRYDJISZCFVYFA-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.66
Rot. Bonds3

About 6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine

6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine (PubChem CID 170267521) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine
PubChem CID170267521
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)CC1=CCC(C(C)C)C=N1
InChIInChI=1S/C12H21N/c1-9(2)7-12-6-5-11(8-13-12)10(3)4/h6,8-11H,5,7H2,1-4H3
InChIKeyZRYDJISZCFVYFA-UHFFFAOYSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine (CID 170267521) is 6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine is CC(C)CC1=CCC(C(C)C)C=N1.
What is the InChIKey of 6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine?
The InChIKey is ZRYDJISZCFVYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)7-12-6-5-11(8-13-12)10(3)4/h6,8-11H,5,7H2,1-4H3.
What are the key properties of 6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine?
6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-3-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 170267521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).