3-ethyl-2-heptan-4-ylpyrrolidine

C13H27N — CID 3522347

IUPAC3-ethyl-2-heptan-4-ylpyrrolidine
SMILESCCCC(CCC)C1NCCC1CC
InChIInChI=1S/C13H27N/c1-4-7-12(8-5-2)13-11(6-3)9-10-14-13/h11-14H,4-10H2,1-3H3
InChIKeyVEYMDHFEEZAQQL-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds6

About 3-ethyl-2-heptan-4-ylpyrrolidine

3-ethyl-2-heptan-4-ylpyrrolidine (PubChem CID 3522347) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-ethyl-2-heptan-4-ylpyrrolidine.

Molecular Properties

Compound Name3-ethyl-2-heptan-4-ylpyrrolidine
PubChem CID3522347
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-ethyl-2-heptan-4-ylpyrrolidine
SMILESCCCC(CCC)C1NCCC1CC
InChIInChI=1S/C13H27N/c1-4-7-12(8-5-2)13-11(6-3)9-10-14-13/h11-14H,4-10H2,1-3H3
InChIKeyVEYMDHFEEZAQQL-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

3-ethyl-2-propan-2-ylpyrrolidine
CID 4239947
2-ethyl-4-heptan-4-ylpiperidine
CID 118569997
3-ethyl-2-(3-methylbutan-2-yl)piperidine
CID 178128568
ethane;3-ethylpyrrolidin-2-amine
CID 142313180
2,3-diethylpyrrolidine;molecular hydrogen
CID 178039705
3-(methoxymethyl)-2-propan-2-ylpyrrolidine
CID 105430787
(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
(2R,3R)-2-ethylpyrrolidin-3-amine
CID 90066491
2-pentan-2-yl-4-(trifluoromethyl)piperidine
CID 107888090
4-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 171521770
4-octan-4-ylpiperidine
CID 143122305
[(2R,3R)-2-ethylpyrrolidin-3-yl]methanol
CID 124705557

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-heptan-4-ylpyrrolidine?
The IUPAC name of 3-ethyl-2-heptan-4-ylpyrrolidine (CID 3522347) is 3-ethyl-2-heptan-4-ylpyrrolidine.
What is the SMILES notation for 3-ethyl-2-heptan-4-ylpyrrolidine?
The canonical SMILES for 3-ethyl-2-heptan-4-ylpyrrolidine is CCCC(CCC)C1NCCC1CC.
What is the InChIKey of 3-ethyl-2-heptan-4-ylpyrrolidine?
The InChIKey is VEYMDHFEEZAQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-7-12(8-5-2)13-11(6-3)9-10-14-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-2-heptan-4-ylpyrrolidine?
3-ethyl-2-heptan-4-ylpyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-heptan-4-ylpyrrolidine is sourced from PubChem (CID 3522347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).