4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine

C13H25NO — CID 58903061

IUPAC4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
SMILESCC1CCC(OCC2CC(C)CN2)CC1
InChIInChI=1S/C13H25NO/c1-10-3-5-13(6-4-10)15-9-12-7-11(2)8-14-12/h10-14H,3-9H2,1-2H3
InChIKeySCBOKNYIVOQJQH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

About 4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine

4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine (PubChem CID 58903061) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
PubChem CID58903061
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
SMILESCC1CCC(OCC2CC(C)CN2)CC1
InChIInChI=1S/C13H25NO/c1-10-3-5-13(6-4-10)15-9-12-7-11(2)8-14-12/h10-14H,3-9H2,1-2H3
InChIKeySCBOKNYIVOQJQH-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The IUPAC name of 4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine (CID 58903061) is 4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine.
What is the SMILES notation for 4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The canonical SMILES for 4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine is CC1CCC(OCC2CC(C)CN2)CC1.
What is the InChIKey of 4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The InChIKey is SCBOKNYIVOQJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-3-5-13(6-4-10)15-9-12-7-11(2)8-14-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine is sourced from PubChem (CID 58903061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).