2-(cyclohexylmethyl)-3-ethylpyrrolidine

C13H25N — CID 4299051

IUPAC2-(cyclohexylmethyl)-3-ethylpyrrolidine
SMILESCCC1CCNC1CC1CCCCC1
InChIInChI=1S/C13H25N/c1-2-12-8-9-14-13(12)10-11-6-4-3-5-7-11/h11-14H,2-10H2,1H3
InChIKeyLEKRUOXGXALOOY-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds3

About 2-(cyclohexylmethyl)-3-ethylpyrrolidine

2-(cyclohexylmethyl)-3-ethylpyrrolidine (PubChem CID 4299051) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-3-ethylpyrrolidine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-3-ethylpyrrolidine
PubChem CID4299051
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-(cyclohexylmethyl)-3-ethylpyrrolidine
SMILESCCC1CCNC1CC1CCCCC1
InChIInChI=1S/C13H25N/c1-2-12-8-9-14-13(12)10-11-6-4-3-5-7-11/h11-14H,2-10H2,1H3
InChIKeyLEKRUOXGXALOOY-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-diethylpyrrolidine;molecular hydrogen
CID 178039705
2-(cyclohexylmethyl)pyrrolidin-3-ol
CID 83828678
1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine
CID 3445538
(2S,3S)-2,3-diethylpiperidine
CID 89278402
2,3-diethylpiperidine;ethane
CID 144800386
2,3-diethylpiperidine;propane
CID 143653277
1-cyclohexyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
CID 82734539
(2R,3R)-2-ethylpyrrolidin-3-amine
CID 90066491
(2S)-1-[[(2S,3S)-3-ethylpyrrolidin-2-yl]methyl]pyrrolidine-2-carbaldehyde
CID 22872479
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
chromium;bis(ethylcyclopentane)
CID 91996240
3-ethyl-2-propan-2-ylpyrrolidine
CID 4239947

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-3-ethylpyrrolidine?
The IUPAC name of 2-(cyclohexylmethyl)-3-ethylpyrrolidine (CID 4299051) is 2-(cyclohexylmethyl)-3-ethylpyrrolidine.
What is the SMILES notation for 2-(cyclohexylmethyl)-3-ethylpyrrolidine?
The canonical SMILES for 2-(cyclohexylmethyl)-3-ethylpyrrolidine is CCC1CCNC1CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-3-ethylpyrrolidine?
The InChIKey is LEKRUOXGXALOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-2-12-8-9-14-13(12)10-11-6-4-3-5-7-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-3-ethylpyrrolidine?
2-(cyclohexylmethyl)-3-ethylpyrrolidine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-3-ethylpyrrolidine is sourced from PubChem (CID 4299051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).