1-[(1-ethoxycyclohexyl)methyl]pyrrolidine

C13H25NO — CID 45094255

IUPAC1-[(1-ethoxycyclohexyl)methyl]pyrrolidine
SMILESCCOC1(CN2CCCC2)CCCCC1
InChIInChI=1S/C13H25NO/c1-2-15-13(8-4-3-5-9-13)12-14-10-6-7-11-14/h2-12H2,1H3
InChIKeyYYSPTNPOQQVIMZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.82
Rot. Bonds4

About 1-[(1-ethoxycyclohexyl)methyl]pyrrolidine

1-[(1-ethoxycyclohexyl)methyl]pyrrolidine (PubChem CID 45094255) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[(1-ethoxycyclohexyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1-ethoxycyclohexyl)methyl]pyrrolidine
PubChem CID45094255
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[(1-ethoxycyclohexyl)methyl]pyrrolidine
SMILESCCOC1(CN2CCCC2)CCCCC1
InChIInChI=1S/C13H25NO/c1-2-15-13(8-4-3-5-9-13)12-14-10-6-7-11-14/h2-12H2,1H3
InChIKeyYYSPTNPOQQVIMZ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethoxycyclohexyl)methyl]pyrrolidine?
The IUPAC name of 1-[(1-ethoxycyclohexyl)methyl]pyrrolidine (CID 45094255) is 1-[(1-ethoxycyclohexyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(1-ethoxycyclohexyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(1-ethoxycyclohexyl)methyl]pyrrolidine is CCOC1(CN2CCCC2)CCCCC1.
What is the InChIKey of 1-[(1-ethoxycyclohexyl)methyl]pyrrolidine?
The InChIKey is YYSPTNPOQQVIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-15-13(8-4-3-5-9-13)12-14-10-6-7-11-14/h2-12H2,1H3.
What are the key properties of 1-[(1-ethoxycyclohexyl)methyl]pyrrolidine?
1-[(1-ethoxycyclohexyl)methyl]pyrrolidine has a molecular weight of 211.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethoxycyclohexyl)methyl]pyrrolidine is sourced from PubChem (CID 45094255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).