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

C20H31NO — CID 70921641

IUPAC1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine
SMILESCC1CCC(Cc2ccccc2)(OCCN2CCCC2)CC1
InChIInChI=1S/C20H31NO/c1-18-9-11-20(12-10-18,17-19-7-3-2-4-8-19)22-16-15-21-13-5-6-14-21/h2-4,7-8,18H,5-6,9-17H2,1H3
InChIKeyYYNJKNMMLNQGCS-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.29
Rot. Bonds6

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

1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine (PubChem CID 70921641) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine
PubChem CID70921641
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine
SMILESCC1CCC(Cc2ccccc2)(OCCN2CCCC2)CC1
InChIInChI=1S/C20H31NO/c1-18-9-11-20(12-10-18,17-19-7-3-2-4-8-19)22-16-15-21-13-5-6-14-21/h2-4,7-8,18H,5-6,9-17H2,1H3
InChIKeyYYNJKNMMLNQGCS-UHFFFAOYSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine?
The IUPAC name of 1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine (CID 70921641) is 1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine?
The canonical SMILES for 1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine is CC1CCC(Cc2ccccc2)(OCCN2CCCC2)CC1.
What is the InChIKey of 1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine?
The InChIKey is YYNJKNMMLNQGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-18-9-11-20(12-10-18,17-19-7-3-2-4-8-19)22-16-15-21-13-5-6-14-21/h2-4,7-8,18H,5-6,9-17H2,1H3.
What are the key properties of 1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine?
1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine has a molecular weight of 301.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]pyrrolidine is sourced from PubChem (CID 70921641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).