2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine

C15H27N — CID 601205

IUPAC2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine
SMILESCC(C)CC1NC=C(C(C)C)C=C1C(C)C
InChIInChI=1S/C15H27N/c1-10(2)7-15-14(12(5)6)8-13(9-16-15)11(3)4/h8-12,15-16H,7H2,1-6H3
InChIKeyYYFTXQSCZVIWJZ-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.13
Rot. Bonds4

About 2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine

2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine (PubChem CID 601205) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine
PubChem CID601205
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine
SMILESCC(C)CC1NC=C(C(C)C)C=C1C(C)C
InChIInChI=1S/C15H27N/c1-10(2)7-15-14(12(5)6)8-13(9-16-15)11(3)4/h8-12,15-16H,7H2,1-6H3
InChIKeyYYFTXQSCZVIWJZ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine?
The IUPAC name of 2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine (CID 601205) is 2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine?
The canonical SMILES for 2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine is CC(C)CC1NC=C(C(C)C)C=C1C(C)C.
What is the InChIKey of 2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine?
The InChIKey is YYFTXQSCZVIWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-10(2)7-15-14(12(5)6)8-13(9-16-15)11(3)4/h8-12,15-16H,7H2,1-6H3.
What are the key properties of 2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine?
2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine has a molecular weight of 221.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3,5-di(propan-2-yl)-1,2-dihydropyridine is sourced from PubChem (CID 601205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).