1,2-diethyl-3-methylpyrrolidine;hydrofluoride

C9H20FN — CID 175583958

IUPAC1,2-diethyl-3-methylpyrrolidine;hydrofluoride
SMILESCCC1C(C)CCN1CC.F
InChIInChI=1S/C9H19N.FH/c1-4-9-8(3)6-7-10(9)5-2;/h8-9H,4-7H2,1-3H3;1H
InChIKeyQNRBSVPSBJHJIS-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.28
Rot. Bonds2

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

1,2-diethyl-3-methylpyrrolidine;hydrofluoride (PubChem CID 175583958) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is 1,2-diethyl-3-methylpyrrolidine;hydrofluoride.

Molecular Properties

Compound Name1,2-diethyl-3-methylpyrrolidine;hydrofluoride
PubChem CID175583958
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Name1,2-diethyl-3-methylpyrrolidine;hydrofluoride
SMILESCCC1C(C)CCN1CC.F
InChIInChI=1S/C9H19N.FH/c1-4-9-8(3)6-7-10(9)5-2;/h8-9H,4-7H2,1-3H3;1H
InChIKeyQNRBSVPSBJHJIS-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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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-methylpyrrolidine;hydrofluoride?
The IUPAC name of 1,2-diethyl-3-methylpyrrolidine;hydrofluoride (CID 175583958) is 1,2-diethyl-3-methylpyrrolidine;hydrofluoride.
What is the SMILES notation for 1,2-diethyl-3-methylpyrrolidine;hydrofluoride?
The canonical SMILES for 1,2-diethyl-3-methylpyrrolidine;hydrofluoride is CCC1C(C)CCN1CC.F.
What is the InChIKey of 1,2-diethyl-3-methylpyrrolidine;hydrofluoride?
The InChIKey is QNRBSVPSBJHJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.FH/c1-4-9-8(3)6-7-10(9)5-2;/h8-9H,4-7H2,1-3H3;1H.
What are the key properties of 1,2-diethyl-3-methylpyrrolidine;hydrofluoride?
1,2-diethyl-3-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 1,2-diethyl-3-methylpyrrolidine;hydrofluoride is sourced from PubChem (CID 175583958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).