1,2-diethyl-2-methylpyrrolidine

C9H19N — CID 70644433

IUPAC1,2-diethyl-2-methylpyrrolidine
SMILESCCN1CCCC1(C)CC
InChIInChI=1S/C9H19N/c1-4-9(3)7-6-8-10(9)5-2/h4-8H2,1-3H3
InChIKeyBQBOIAFKIHIIRU-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.27
Rot. Bonds2

About 1,2-diethyl-2-methylpyrrolidine

1,2-diethyl-2-methylpyrrolidine (PubChem CID 70644433) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1,2-diethyl-2-methylpyrrolidine.

Molecular Properties

Compound Name1,2-diethyl-2-methylpyrrolidine
PubChem CID70644433
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1,2-diethyl-2-methylpyrrolidine
SMILESCCN1CCCC1(C)CC
InChIInChI=1S/C9H19N/c1-4-9(3)7-6-8-10(9)5-2/h4-8H2,1-3H3
InChIKeyBQBOIAFKIHIIRU-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-2-methylpyrrolidine?
The IUPAC name of 1,2-diethyl-2-methylpyrrolidine (CID 70644433) is 1,2-diethyl-2-methylpyrrolidine.
What is the SMILES notation for 1,2-diethyl-2-methylpyrrolidine?
The canonical SMILES for 1,2-diethyl-2-methylpyrrolidine is CCN1CCCC1(C)CC.
What is the InChIKey of 1,2-diethyl-2-methylpyrrolidine?
The InChIKey is BQBOIAFKIHIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-9(3)7-6-8-10(9)5-2/h4-8H2,1-3H3.
What are the key properties of 1,2-diethyl-2-methylpyrrolidine?
1,2-diethyl-2-methylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-2-methylpyrrolidine is sourced from PubChem (CID 70644433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).