1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine

C15H28N2O — CID 106873240

IUPAC1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESCOC1CCCCC1N1CCCC1C1CCCN1
InChIInChI=1S/C15H28N2O/c1-18-15-9-3-2-7-14(15)17-11-5-8-13(17)12-6-4-10-16-12/h12-16H,2-11H2,1H3
InChIKeyAFTRRUPMRDOROI-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.16
Rot. Bonds3

About 1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine

1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 106873240) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
PubChem CID106873240
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESCOC1CCCCC1N1CCCC1C1CCCN1
InChIInChI=1S/C15H28N2O/c1-18-15-9-3-2-7-14(15)17-11-5-8-13(17)12-6-4-10-16-12/h12-16H,2-11H2,1H3
InChIKeyAFTRRUPMRDOROI-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine (CID 106873240) is 1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine is COC1CCCCC1N1CCCC1C1CCCN1.
What is the InChIKey of 1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is AFTRRUPMRDOROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-18-15-9-3-2-7-14(15)17-11-5-8-13(17)12-6-4-10-16-12/h12-16H,2-11H2,1H3.
What are the key properties of 1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine?
1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 252.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 106873240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).