3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine

C17H31NO — CID 91277222

IUPAC3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine
SMILESCOC1(C)CCC(CCC2CC2)(C2CCNC2)CC1
InChIInChI=1S/C17H31NO/c1-16(19-2)8-10-17(11-9-16,7-5-14-3-4-14)15-6-12-18-13-15/h14-15,18H,3-13H2,1-2H3
InChIKeySUIQRRVLHGYMTA-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds5

About 3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine

3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine (PubChem CID 91277222) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine
PubChem CID91277222
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine
SMILESCOC1(C)CCC(CCC2CC2)(C2CCNC2)CC1
InChIInChI=1S/C17H31NO/c1-16(19-2)8-10-17(11-9-16,7-5-14-3-4-14)15-6-12-18-13-15/h14-15,18H,3-13H2,1-2H3
InChIKeySUIQRRVLHGYMTA-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]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 3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine?
The IUPAC name of 3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine (CID 91277222) is 3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine.
What is the SMILES notation for 3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine?
The canonical SMILES for 3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine is COC1(C)CCC(CCC2CC2)(C2CCNC2)CC1.
What is the InChIKey of 3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine?
The InChIKey is SUIQRRVLHGYMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-16(19-2)8-10-17(11-9-16,7-5-14-3-4-14)15-6-12-18-13-15/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine?
3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine has a molecular weight of 265.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine is sourced from PubChem (CID 91277222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).