2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine

C15H29NO — CID 70226069

IUPAC2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine
SMILESCCCC1CCC(COCC2CCCCC2)N1
InChIInChI=1S/C15H29NO/c1-2-6-14-9-10-15(16-14)12-17-11-13-7-4-3-5-8-13/h13-16H,2-12H2,1H3
InChIKeyBGCRUNZNHNCDGQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds6

About 2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine

2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine (PubChem CID 70226069) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine.

Molecular Properties

Compound Name2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine
PubChem CID70226069
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine
SMILESCCCC1CCC(COCC2CCCCC2)N1
InChIInChI=1S/C15H29NO/c1-2-6-14-9-10-15(16-14)12-17-11-13-7-4-3-5-8-13/h13-16H,2-12H2,1H3
InChIKeyBGCRUNZNHNCDGQ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine?
The IUPAC name of 2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine (CID 70226069) is 2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine.
What is the SMILES notation for 2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine?
The canonical SMILES for 2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine is CCCC1CCC(COCC2CCCCC2)N1.
What is the InChIKey of 2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine?
The InChIKey is BGCRUNZNHNCDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-6-14-9-10-15(16-14)12-17-11-13-7-4-3-5-8-13/h13-16H,2-12H2,1H3.
What are the key properties of 2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine?
2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxymethyl)-5-propylpyrrolidine is sourced from PubChem (CID 70226069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).