3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane

C15H33N — CID 91585358

IUPAC3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane
SMILESCC.CC.CCC1CN(C)CC1C1CCC1
InChIInChI=1S/C11H21N.2C2H6/c1-3-9-7-12(2)8-11(9)10-5-4-6-10;2*1-2/h9-11H,3-8H2,1-2H3;2*1-2H3
InChIKeyJITKDANWQMVIDT-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.43
Rot. Bonds2

About 3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane

3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane (PubChem CID 91585358) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane.

Molecular Properties

Compound Name3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane
PubChem CID91585358
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane
SMILESCC.CC.CCC1CN(C)CC1C1CCC1
InChIInChI=1S/C11H21N.2C2H6/c1-3-9-7-12(2)8-11(9)10-5-4-6-10;2*1-2/h9-11H,3-8H2,1-2H3;2*1-2H3
InChIKeyJITKDANWQMVIDT-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Cyclohexyl-1-propyl-pyrrolidine
CID 44460756
1-Methyl-4-ethyl-2-n-propylpyrrolidine
CID 57834780
(3S)-3-fluoro-1-[(3-propan-2-ylcyclobutyl)methyl]pyrrolidine
CID 68067653
(3R)-3-fluoro-1-[(3-propan-2-ylcyclobutyl)methyl]pyrrolidine
CID 68067675
1-Fluoro-3-hexyl-4-methylpyrrolidine
CID 146590506
(3R,4S)-3-decan-5-yl-4-fluoro-1-methylpyrrolidine
CID 154977324
(3S)-3-fluoro-1-methyl-4-tetradecan-7-ylpyrrolidine
CID 154977329
(3S)-3-fluoro-1-methyl-4-tridecan-7-ylpyrrolidine
CID 155467509
3-Fluoro-1-(3-methylnonyl)pyrrolidine
CID 170108013
(3R)-3-fluoro-1-(3-propylnonyl)pyrrolidine
CID 170113166
6-(2-Fluoro-2-methylpropyl)-2-propan-2-yl-6-azaspiro[3.4]octane
CID 170740024
1-Ethyl-3-(6-fluorodecan-2-yl)pyrrolidine
CID 172349263

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane?
The IUPAC name of 3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane (CID 91585358) is 3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane.
What is the SMILES notation for 3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane?
The canonical SMILES for 3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane is CC.CC.CCC1CN(C)CC1C1CCC1.
What is the InChIKey of 3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane?
The InChIKey is JITKDANWQMVIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.2C2H6/c1-3-9-7-12(2)8-11(9)10-5-4-6-10;2*1-2/h9-11H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of 3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane?
3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane has a molecular weight of 227.44 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane is sourced from PubChem (CID 91585358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).