2,2-diethyl-1-methylpyrrolidine

C9H19N — CID 123234124

IUPAC2,2-diethyl-1-methylpyrrolidine
SMILESCCC1(CC)CCCN1C
InChIInChI=1S/C9H19N/c1-4-9(5-2)7-6-8-10(9)3/h4-8H2,1-3H3
InChIKeyLQRFAZAWQUAKFH-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.27
Rot. Bonds2

About 2,2-diethyl-1-methylpyrrolidine

2,2-diethyl-1-methylpyrrolidine (PubChem CID 123234124) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2,2-diethyl-1-methylpyrrolidine.

Molecular Properties

Compound Name2,2-diethyl-1-methylpyrrolidine
PubChem CID123234124
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2,2-diethyl-1-methylpyrrolidine
SMILESCCC1(CC)CCCN1C
InChIInChI=1S/C9H19N/c1-4-9(5-2)7-6-8-10(9)3/h4-8H2,1-3H3
InChIKeyLQRFAZAWQUAKFH-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 2,2-diethyl-1-methylpyrrolidine?
The IUPAC name of 2,2-diethyl-1-methylpyrrolidine (CID 123234124) is 2,2-diethyl-1-methylpyrrolidine.
What is the SMILES notation for 2,2-diethyl-1-methylpyrrolidine?
The canonical SMILES for 2,2-diethyl-1-methylpyrrolidine is CCC1(CC)CCCN1C.
What is the InChIKey of 2,2-diethyl-1-methylpyrrolidine?
The InChIKey is LQRFAZAWQUAKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-9(5-2)7-6-8-10(9)3/h4-8H2,1-3H3.
What are the key properties of 2,2-diethyl-1-methylpyrrolidine?
2,2-diethyl-1-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 2,2-diethyl-1-methylpyrrolidine is sourced from PubChem (CID 123234124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).