3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine

C13H27N — CID 62355601

IUPAC3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine
SMILESCCC(C)CC1(CC)CCNC1(C)C
InChIInChI=1S/C13H27N/c1-6-11(3)10-13(7-2)8-9-14-12(13,4)5/h11,14H,6-10H2,1-5H3
InChIKeyWICNDTUMLHDMRJ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds4

About 3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine

3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine (PubChem CID 62355601) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine
PubChem CID62355601
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine
SMILESCCC(C)CC1(CC)CCNC1(C)C
InChIInChI=1S/C13H27N/c1-6-11(3)10-13(7-2)8-9-14-12(13,4)5/h11,14H,6-10H2,1-5H3
InChIKeyWICNDTUMLHDMRJ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane
CID 165442992
3-ethyl-3-(2-methylbutyl)pyrrolidine
CID 62352988
1-methyl-1-(2-methylbutyl)cyclopentane
CID 123846035
2-cyclopropyl-2-(2-methylbutyl)pyrrolidine
CID 66466256
N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 104595168
2-ethyl-2,4-dimethyl-4-propan-2-ylpiperidine
CID 91360391
4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine
CID 79320802
2-(2-ethylbutyl)-2-propan-2-ylpyrrolidine
CID 82922353
N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63129369
2,5,5-trimethyl-2-(2-methylbutyl)-1,3-dioxane
CID 129172366
1-(2-methylbutyl)-1-pentylsulfanylcyclopropane
CID 135228154
3-methyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 107424428

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine?
The IUPAC name of 3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine (CID 62355601) is 3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine.
What is the SMILES notation for 3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine?
The canonical SMILES for 3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine is CCC(C)CC1(CC)CCNC1(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine?
The InChIKey is WICNDTUMLHDMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-11(3)10-13(7-2)8-9-14-12(13,4)5/h11,14H,6-10H2,1-5H3.
What are the key properties of 3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine?
3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-dimethyl-3-(2-methylbutyl)pyrrolidine is sourced from PubChem (CID 62355601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).