3,3-diethylpyrrolidine

C8H17N — CID 19090605

IUPAC3,3-diethylpyrrolidine
SMILESCCC1(CC)CCNC1
InChIInChI=1S/C8H17N/c1-3-8(4-2)5-6-9-7-8/h9H,3-7H2,1-2H3
InChIKeyMHFVZMTVFSGIBV-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.79
Rot. Bonds2

About 3,3-diethylpyrrolidine

3,3-diethylpyrrolidine (PubChem CID 19090605) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3,3-diethylpyrrolidine.

Molecular Properties

Compound Name3,3-diethylpyrrolidine
PubChem CID19090605
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3,3-diethylpyrrolidine
SMILESCCC1(CC)CCNC1
InChIInChI=1S/C8H17N/c1-3-8(4-2)5-6-9-7-8/h9H,3-7H2,1-2H3
InChIKeyMHFVZMTVFSGIBV-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethylpyrrolidine?
The IUPAC name of 3,3-diethylpyrrolidine (CID 19090605) is 3,3-diethylpyrrolidine.
What is the SMILES notation for 3,3-diethylpyrrolidine?
The canonical SMILES for 3,3-diethylpyrrolidine is CCC1(CC)CCNC1.
What is the InChIKey of 3,3-diethylpyrrolidine?
The InChIKey is MHFVZMTVFSGIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-3-8(4-2)5-6-9-7-8/h9H,3-7H2,1-2H3.
What are the key properties of 3,3-diethylpyrrolidine?
3,3-diethylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylpyrrolidine is sourced from PubChem (CID 19090605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).