1,3-diethyl-2-methylpyrrolidine;hydrofluoride

C9H20FN — CID 175583829

IUPAC1,3-diethyl-2-methylpyrrolidine;hydrofluoride
SMILESCCC1CCN(CC)C1C.F
InChIInChI=1S/C9H19N.FH/c1-4-9-6-7-10(5-2)8(9)3;/h8-9H,4-7H2,1-3H3;1H
InChIKeyFMSWITXXEZIQLE-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.28
Rot. Bonds2

About 1,3-diethyl-2-methylpyrrolidine;hydrofluoride

1,3-diethyl-2-methylpyrrolidine;hydrofluoride (PubChem CID 175583829) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is 1,3-diethyl-2-methylpyrrolidine;hydrofluoride.

Molecular Properties

Compound Name1,3-diethyl-2-methylpyrrolidine;hydrofluoride
PubChem CID175583829
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Name1,3-diethyl-2-methylpyrrolidine;hydrofluoride
SMILESCCC1CCN(CC)C1C.F
InChIInChI=1S/C9H19N.FH/c1-4-9-6-7-10(5-2)8(9)3;/h8-9H,4-7H2,1-3H3;1H
InChIKeyFMSWITXXEZIQLE-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-ethyl-2-methylpyrrolidin-3-yl)methanamine
CID 117022133
3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine
CID 130875141
(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine
CID 146922886
1,2-diethyl-3-methylpyrrolidine;hydrofluoride
CID 175583958
4-ethyl-1,2,3-trimethylpiperidine
CID 89228905
[2-methyl-1-(trimethylsilylmethyl)pyrrolidin-3-yl]methanol
CID 131019315
[2-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol
CID 117021954
azane;1,2-diethylazetidine;dihydrochloride
CID 175211859
1-ethyl-2-methyl-3-propan-2-ylpiperidine
CID 154952933
methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate
CID 126995651
[(2S,4R)-1-ethyl-4-methylpiperidin-2-yl]methanol
CID 145404764
1-ethyl-2,4,5-trimethylazepane
CID 118247359

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-methylpyrrolidine;hydrofluoride?
The IUPAC name of 1,3-diethyl-2-methylpyrrolidine;hydrofluoride (CID 175583829) is 1,3-diethyl-2-methylpyrrolidine;hydrofluoride.
What is the SMILES notation for 1,3-diethyl-2-methylpyrrolidine;hydrofluoride?
The canonical SMILES for 1,3-diethyl-2-methylpyrrolidine;hydrofluoride is CCC1CCN(CC)C1C.F.
What is the InChIKey of 1,3-diethyl-2-methylpyrrolidine;hydrofluoride?
The InChIKey is FMSWITXXEZIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.FH/c1-4-9-6-7-10(5-2)8(9)3;/h8-9H,4-7H2,1-3H3;1H.
What are the key properties of 1,3-diethyl-2-methylpyrrolidine;hydrofluoride?
1,3-diethyl-2-methylpyrrolidine;hydrofluoride has a molecular weight of 161.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-methylpyrrolidine;hydrofluoride is sourced from PubChem (CID 175583829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).