2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine

C21H27N — CID 101474054

IUPAC2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine
SMILESCC(C)CN1CC(c2ccccc2)(c2ccccc2)CC1C
InChIInChI=1S/C21H27N/c1-17(2)15-22-16-21(14-18(22)3,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18H,14-16H2,1-3H3
InChIKeyZQMKUEHPTFYLPM-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.72
Rot. Bonds4

About 2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine

2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine (PubChem CID 101474054) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine
PubChem CID101474054
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine
SMILESCC(C)CN1CC(c2ccccc2)(c2ccccc2)CC1C
InChIInChI=1S/C21H27N/c1-17(2)15-22-16-21(14-18(22)3,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18H,14-16H2,1-3H3
InChIKeyZQMKUEHPTFYLPM-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine (CID 101474054) is 2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine is CC(C)CN1CC(c2ccccc2)(c2ccccc2)CC1C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine?
The InChIKey is ZQMKUEHPTFYLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-17(2)15-22-16-21(14-18(22)3,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18H,14-16H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine?
2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine has a molecular weight of 293.45 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-4,4-diphenylpyrrolidine is sourced from PubChem (CID 101474054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).