1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine

C13H25NO — CID 71235973

IUPAC1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine
SMILESCC1CCC(OCCN2CCCC2)CC1
InChIInChI=1S/C13H25NO/c1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14/h12-13H,2-11H2,1H3
InChIKeyKJDDKSLNZISOSR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.68
Rot. Bonds4

About 1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine

1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine (PubChem CID 71235973) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine
PubChem CID71235973
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine
SMILESCC1CCC(OCCN2CCCC2)CC1
InChIInChI=1S/C13H25NO/c1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14/h12-13H,2-11H2,1H3
InChIKeyKJDDKSLNZISOSR-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine?
The IUPAC name of 1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine (CID 71235973) is 1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine?
The canonical SMILES for 1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine is CC1CCC(OCCN2CCCC2)CC1.
What is the InChIKey of 1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine?
The InChIKey is KJDDKSLNZISOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12-4-6-13(7-5-12)15-11-10-14-8-2-3-9-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine?
1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine has a molecular weight of 211.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylcyclohexyl)oxyethyl]pyrrolidine is sourced from PubChem (CID 71235973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).