1-butyl-2,3-dimethylpyrrolidine

C10H21N — CID 123853646

IUPAC1-butyl-2,3-dimethylpyrrolidine
SMILESCCCCN1CCC(C)C1C
InChIInChI=1S/C10H21N/c1-4-5-7-11-8-6-9(2)10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyXKLWFPFLTHAHCE-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds3

About 1-butyl-2,3-dimethylpyrrolidine

1-butyl-2,3-dimethylpyrrolidine (PubChem CID 123853646) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-butyl-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-butyl-2,3-dimethylpyrrolidine
PubChem CID123853646
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-butyl-2,3-dimethylpyrrolidine
SMILESCCCCN1CCC(C)C1C
InChIInChI=1S/C10H21N/c1-4-5-7-11-8-6-9(2)10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyXKLWFPFLTHAHCE-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butyl-2,3-dimethylpyrrolidine 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 1-butyl-2,3-dimethylpyrrolidine?
The IUPAC name of 1-butyl-2,3-dimethylpyrrolidine (CID 123853646) is 1-butyl-2,3-dimethylpyrrolidine.
What is the SMILES notation for 1-butyl-2,3-dimethylpyrrolidine?
The canonical SMILES for 1-butyl-2,3-dimethylpyrrolidine is CCCCN1CCC(C)C1C.
What is the InChIKey of 1-butyl-2,3-dimethylpyrrolidine?
The InChIKey is XKLWFPFLTHAHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-4-5-7-11-8-6-9(2)10(11)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-butyl-2,3-dimethylpyrrolidine?
1-butyl-2,3-dimethylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dimethylpyrrolidine is sourced from PubChem (CID 123853646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).