1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine

C17H33NO — CID 138724423

IUPAC1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
SMILESCC1CCC(OCC2CC(C)(C)N(C)C2(C)C)CC1
InChIInChI=1S/C17H33NO/c1-13-7-9-15(10-8-13)19-12-14-11-16(2,3)18(6)17(14,4)5/h13-15H,7-12H2,1-6H3
InChIKeyURJYBKRFSGDSIJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.09
Rot. Bonds3

About 1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine

1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine (PubChem CID 138724423) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
PubChem CID138724423
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
SMILESCC1CCC(OCC2CC(C)(C)N(C)C2(C)C)CC1
InChIInChI=1S/C17H33NO/c1-13-7-9-15(10-8-13)19-12-14-11-16(2,3)18(6)17(14,4)5/h13-15H,7-12H2,1-6H3
InChIKeyURJYBKRFSGDSIJ-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The IUPAC name of 1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine (CID 138724423) is 1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine.
What is the SMILES notation for 1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The canonical SMILES for 1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine is CC1CCC(OCC2CC(C)(C)N(C)C2(C)C)CC1.
What is the InChIKey of 1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The InChIKey is URJYBKRFSGDSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13-7-9-15(10-8-13)19-12-14-11-16(2,3)18(6)17(14,4)5/h13-15H,7-12H2,1-6H3.
What are the key properties of 1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine has a molecular weight of 267.46 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,5,5-pentamethyl-3-[(4-methylcyclohexyl)oxymethyl]pyrrolidine is sourced from PubChem (CID 138724423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).