5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol

C14H27NO2 — CID 56790756

IUPAC5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol
SMILESCCOCCN1CC(O)CC1C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-17-9-8-15-11-13(16)10-14(15)12-6-4-3-5-7-12/h12-14,16H,2-11H2,1H3
InChIKeyRNKSYNIRFYVVBW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.04
Rot. Bonds5

About 5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol

5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol (PubChem CID 56790756) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol
PubChem CID56790756
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol
SMILESCCOCCN1CC(O)CC1C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-17-9-8-15-11-13(16)10-14(15)12-6-4-3-5-7-12/h12-14,16H,2-11H2,1H3
InChIKeyRNKSYNIRFYVVBW-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol?
The IUPAC name of 5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol (CID 56790756) is 5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol?
The canonical SMILES for 5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol is CCOCCN1CC(O)CC1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol?
The InChIKey is RNKSYNIRFYVVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-17-9-8-15-11-13(16)10-14(15)12-6-4-3-5-7-12/h12-14,16H,2-11H2,1H3.
What are the key properties of 5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol?
5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol has a molecular weight of 241.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-(2-ethoxyethyl)pyrrolidin-3-ol is sourced from PubChem (CID 56790756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).