1-butylpyrrolidine;1-propan-2-ylpyrrolidine

C15H32N2 — CID 68612412

IUPAC1-butylpyrrolidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CCCCN1CCCC1
InChIInChI=1S/C8H17N.C7H15N/c1-2-3-6-9-7-4-5-8-9;1-7(2)8-5-3-4-6-8/h2-8H2,1H3;7H,3-6H2,1-2H3
InChIKeyIJEKKCNBGNIFBL-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.37
Rot. Bonds4

About 1-butylpyrrolidine;1-propan-2-ylpyrrolidine

1-butylpyrrolidine;1-propan-2-ylpyrrolidine (PubChem CID 68612412) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-butylpyrrolidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-butylpyrrolidine;1-propan-2-ylpyrrolidine
PubChem CID68612412
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-butylpyrrolidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CCCCN1CCCC1
InChIInChI=1S/C8H17N.C7H15N/c1-2-3-6-9-7-4-5-8-9;1-7(2)8-5-3-4-6-8/h2-8H2,1H3;7H,3-6H2,1-2H3
InChIKeyIJEKKCNBGNIFBL-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butylpyrrolidine;1-propan-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 1-butylpyrrolidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-butylpyrrolidine;1-propan-2-ylpyrrolidine (CID 68612412) is 1-butylpyrrolidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-butylpyrrolidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-butylpyrrolidine;1-propan-2-ylpyrrolidine is CC(C)N1CCCC1.CCCCN1CCCC1.
What is the InChIKey of 1-butylpyrrolidine;1-propan-2-ylpyrrolidine?
The InChIKey is IJEKKCNBGNIFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H15N/c1-2-3-6-9-7-4-5-8-9;1-7(2)8-5-3-4-6-8/h2-8H2,1H3;7H,3-6H2,1-2H3.
What are the key properties of 1-butylpyrrolidine;1-propan-2-ylpyrrolidine?
1-butylpyrrolidine;1-propan-2-ylpyrrolidine has a molecular weight of 240.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrrolidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 68612412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).