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

C24H31N — CID 51032354

IUPAC1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine
SMILESCC1CC(c2ccccc2)(c2ccccc2)CN1CC1CCCCC1
InChIInChI=1S/C24H31N/c1-20-17-24(22-13-7-3-8-14-22,23-15-9-4-10-16-23)19-25(20)18-21-11-5-2-6-12-21/h3-4,7-10,13-16,20-21H,2,5-6,11-12,17-19H2,1H3
InChIKeyBJGNMVFKRWOVFE-UHFFFAOYSA-N
MW333.52 g/mol
LogP5.65
Rot. Bonds4

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

1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine (PubChem CID 51032354) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine
PubChem CID51032354
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC Name1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine
SMILESCC1CC(c2ccccc2)(c2ccccc2)CN1CC1CCCCC1
InChIInChI=1S/C24H31N/c1-20-17-24(22-13-7-3-8-14-22,23-15-9-4-10-16-23)19-25(20)18-21-11-5-2-6-12-21/h3-4,7-10,13-16,20-21H,2,5-6,11-12,17-19H2,1H3
InChIKeyBJGNMVFKRWOVFE-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine?
The IUPAC name of 1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine (CID 51032354) is 1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine?
The canonical SMILES for 1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine is CC1CC(c2ccccc2)(c2ccccc2)CN1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine?
The InChIKey is BJGNMVFKRWOVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N/c1-20-17-24(22-13-7-3-8-14-22,23-15-9-4-10-16-23)19-25(20)18-21-11-5-2-6-12-21/h3-4,7-10,13-16,20-21H,2,5-6,11-12,17-19H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine?
1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine has a molecular weight of 333.52 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-methyl-4,4-diphenylpyrrolidine is sourced from PubChem (CID 51032354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).