3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine

C14H27NO — CID 114796060

IUPAC3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine
SMILESCCC1CCCC(OCCC2CCNC2)C1
InChIInChI=1S/C14H27NO/c1-2-12-4-3-5-14(10-12)16-9-7-13-6-8-15-11-13/h12-15H,2-11H2,1H3
InChIKeyMBPOKEGRJRKYSZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds5

About 3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine

3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine (PubChem CID 114796060) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine
PubChem CID114796060
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine
SMILESCCC1CCCC(OCCC2CCNC2)C1
InChIInChI=1S/C14H27NO/c1-2-12-4-3-5-14(10-12)16-9-7-13-6-8-15-11-13/h12-15H,2-11H2,1H3
InChIKeyMBPOKEGRJRKYSZ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-methylcyclohexyl)oxyethyl]piperidine
CID 62355843
(3S)-3-(2-cyclobutylethoxy)pyrrolidine
CID 106201873
(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
3-(3-ethylcyclohexyl)oxy-4-methylpiperidine
CID 102954193
4-(2-cyclopentyloxyethyl)piperidine
CID 43149930
(3R)-3-(2-cyclohexylethoxy)pyrrolidine
CID 26191806
4-[2-(4-ethylcyclohexyl)ethoxy]piperidine
CID 176984075
3-(2-propoxyethyl)pyrrolidine
CID 114796170
ethane;3-ethylpyrrolidine
CID 143803201
3-(2-heptoxyethyl)pyrrolidine
CID 114795978
2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine
CID 79572133
(3-ethylcyclohexyl) (3R)-piperidine-3-carboxylate
CID 81121055

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine?
The IUPAC name of 3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine (CID 114796060) is 3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine?
The canonical SMILES for 3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine is CCC1CCCC(OCCC2CCNC2)C1.
What is the InChIKey of 3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine?
The InChIKey is MBPOKEGRJRKYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-12-4-3-5-14(10-12)16-9-7-13-6-8-15-11-13/h12-15H,2-11H2,1H3.
What are the key properties of 3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine?
3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine is sourced from PubChem (CID 114796060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).