1-(4-pyrrolidin-1-ylbutyl)pyrrolidine

C12H24N2 — CID 12650899

IUPAC1-(4-pyrrolidin-1-ylbutyl)pyrrolidine
SMILESC1CCN(CCCCN2CCCC2)C1
InChIInChI=1S/C12H24N2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-12H2
InChIKeyMNUXPYFCCPUASB-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.96
Rot. Bonds5

About 1-(4-pyrrolidin-1-ylbutyl)pyrrolidine

1-(4-pyrrolidin-1-ylbutyl)pyrrolidine (PubChem CID 12650899) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylbutyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylbutyl)pyrrolidine
PubChem CID12650899
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(4-pyrrolidin-1-ylbutyl)pyrrolidine
SMILESC1CCN(CCCCN2CCCC2)C1
InChIInChI=1S/C12H24N2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-12H2
InChIKeyMNUXPYFCCPUASB-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-pyrrolidin-1-ylbutyl)pyrrolidine 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-(4-pyrrolidin-1-ylbutyl)pyrrolidine?
The IUPAC name of 1-(4-pyrrolidin-1-ylbutyl)pyrrolidine (CID 12650899) is 1-(4-pyrrolidin-1-ylbutyl)pyrrolidine.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylbutyl)pyrrolidine?
The canonical SMILES for 1-(4-pyrrolidin-1-ylbutyl)pyrrolidine is C1CCN(CCCCN2CCCC2)C1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylbutyl)pyrrolidine?
The InChIKey is MNUXPYFCCPUASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-12H2.
What are the key properties of 1-(4-pyrrolidin-1-ylbutyl)pyrrolidine?
1-(4-pyrrolidin-1-ylbutyl)pyrrolidine has a molecular weight of 196.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylbutyl)pyrrolidine is sourced from PubChem (CID 12650899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).