3-ethyl-2-propan-2-ylpyrrolidine

C9H19N — CID 4239947

IUPAC3-ethyl-2-propan-2-ylpyrrolidine
SMILESCCC1CCNC1C(C)C
InChIInChI=1S/C9H19N/c1-4-8-5-6-10-9(8)7(2)3/h7-10H,4-6H2,1-3H3
InChIKeyZXWQXYVPKKEWAE-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds2

About 3-ethyl-2-propan-2-ylpyrrolidine

3-ethyl-2-propan-2-ylpyrrolidine (PubChem CID 4239947) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-ethyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-ethyl-2-propan-2-ylpyrrolidine
PubChem CID4239947
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-ethyl-2-propan-2-ylpyrrolidine
SMILESCCC1CCNC1C(C)C
InChIInChI=1S/C9H19N/c1-4-8-5-6-10-9(8)7(2)3/h7-10H,4-6H2,1-3H3
InChIKeyZXWQXYVPKKEWAE-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 3-ethyl-2-propan-2-ylpyrrolidine (CID 4239947) is 3-ethyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-ethyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 3-ethyl-2-propan-2-ylpyrrolidine is CCC1CCNC1C(C)C.
What is the InChIKey of 3-ethyl-2-propan-2-ylpyrrolidine?
The InChIKey is ZXWQXYVPKKEWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-8-5-6-10-9(8)7(2)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-2-propan-2-ylpyrrolidine?
3-ethyl-2-propan-2-ylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 4239947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).