2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine

C16H31N — CID 66467218

IUPAC2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(C2CC(C)CC(C)C2)CCCN1
InChIInChI=1S/C16H31N/c1-12(2)11-16(6-5-7-17-16)15-9-13(3)8-14(4)10-15/h12-15,17H,5-11H2,1-4H3
InChIKeyJIBKCDDAEMDNKN-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds3

About 2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine

2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 66467218) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine
PubChem CID66467218
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(C2CC(C)CC(C)C2)CCCN1
InChIInChI=1S/C16H31N/c1-12(2)11-16(6-5-7-17-16)15-9-13(3)8-14(4)10-15/h12-15,17H,5-11H2,1-4H3
InChIKeyJIBKCDDAEMDNKN-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine (CID 66467218) is 2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine is CC(C)CC1(C2CC(C)CC(C)C2)CCCN1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is JIBKCDDAEMDNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)11-16(6-5-7-17-16)15-9-13(3)8-14(4)10-15/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine?
2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 66467218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).