2,3-diethylpyrrolidine;molecular hydrogen

C8H19N — CID 178039705

IUPAC2,3-diethylpyrrolidine;molecular hydrogen
SMILESCCC1CCNC1CC.[H][H]
InChIInChI=1S/C8H17N.H2/c1-3-7-5-6-9-8(7)4-2;/h7-9H,3-6H2,1-2H3;1H
InChIKeyHFDGMGIUTGOYSX-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds2

About 2,3-diethylpyrrolidine;molecular hydrogen

2,3-diethylpyrrolidine;molecular hydrogen (PubChem CID 178039705) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 2,3-diethylpyrrolidine;molecular hydrogen.

Molecular Properties

Compound Name2,3-diethylpyrrolidine;molecular hydrogen
PubChem CID178039705
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name2,3-diethylpyrrolidine;molecular hydrogen
SMILESCCC1CCNC1CC.[H][H]
InChIInChI=1S/C8H17N.H2/c1-3-7-5-6-9-8(7)4-2;/h7-9H,3-6H2,1-2H3;1H
InChIKeyHFDGMGIUTGOYSX-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-2,3-diethylpiperidine
CID 89278402
2,3-diethylpiperidine;ethane
CID 144800386
[(2R,3R)-2-ethylpyrrolidin-3-yl]methanol
CID 124705557
2,3-diethylpiperidine;propane
CID 143653277
(2R,3R)-2-ethylpyrrolidin-3-amine
CID 90066491
ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine
CID 168902447
3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride
CID 174214436
2-(cyclohexylmethyl)-3-ethylpyrrolidine
CID 4299051
1-[(3-ethylpyrrolidin-2-yl)methyl]piperidine
CID 3445538
3-ethyl-2-propan-2-ylpyrrolidine
CID 4239947
3-benzyl-2-ethylpyrrolidine
CID 4543797
(2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine
CID 129452621

Frequently Asked Questions

What is the IUPAC name of 2,3-diethylpyrrolidine;molecular hydrogen?
The IUPAC name of 2,3-diethylpyrrolidine;molecular hydrogen (CID 178039705) is 2,3-diethylpyrrolidine;molecular hydrogen.
What is the SMILES notation for 2,3-diethylpyrrolidine;molecular hydrogen?
The canonical SMILES for 2,3-diethylpyrrolidine;molecular hydrogen is CCC1CCNC1CC.[H][H].
What is the InChIKey of 2,3-diethylpyrrolidine;molecular hydrogen?
The InChIKey is HFDGMGIUTGOYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.H2/c1-3-7-5-6-9-8(7)4-2;/h7-9H,3-6H2,1-2H3;1H.
What are the key properties of 2,3-diethylpyrrolidine;molecular hydrogen?
2,3-diethylpyrrolidine;molecular hydrogen has a molecular weight of 129.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylpyrrolidine;molecular hydrogen is sourced from PubChem (CID 178039705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).