2-butan-2-ylpyrrolidine

C8H17N — CID 3563411

IUPAC2-butan-2-ylpyrrolidine
SMILESCCC(C)C1CCCN1
InChIInChI=1S/C8H17N/c1-3-7(2)8-5-4-6-9-8/h7-9H,3-6H2,1-2H3
InChIKeyKCHJATHVAOQQQV-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds2

About 2-butan-2-ylpyrrolidine

2-butan-2-ylpyrrolidine (PubChem CID 3563411) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-butan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-butan-2-ylpyrrolidine
PubChem CID3563411
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-butan-2-ylpyrrolidine
SMILESCCC(C)C1CCCN1
InChIInChI=1S/C8H17N/c1-3-7(2)8-5-4-6-9-8/h7-9H,3-6H2,1-2H3
InChIKeyKCHJATHVAOQQQV-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-butan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylpyrrolidine?
The IUPAC name of 2-butan-2-ylpyrrolidine (CID 3563411) is 2-butan-2-ylpyrrolidine.
What is the SMILES notation for 2-butan-2-ylpyrrolidine?
The canonical SMILES for 2-butan-2-ylpyrrolidine is CCC(C)C1CCCN1.
What is the InChIKey of 2-butan-2-ylpyrrolidine?
The InChIKey is KCHJATHVAOQQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-3-7(2)8-5-4-6-9-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-butan-2-ylpyrrolidine?
2-butan-2-ylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylpyrrolidine is sourced from PubChem (CID 3563411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).