N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine

C11H21N5 — CID 91569646

IUPACN'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine
SMILESCN1CCN(N=CC=NN2CCCC2)CC1
InChIInChI=1S/C11H21N5/c1-14-8-10-16(11-9-14)13-5-4-12-15-6-2-3-7-15/h4-5H,2-3,6-11H2,1H3
InChIKeyBGBHSIVXGBGCST-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.30
Rot. Bonds3

About N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine

N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine (PubChem CID 91569646) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine.

Molecular Properties

Compound NameN'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine
PubChem CID91569646
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine
SMILESCN1CCN(N=CC=NN2CCCC2)CC1
InChIInChI=1S/C11H21N5/c1-14-8-10-16(11-9-14)13-5-4-12-15-6-2-3-7-15/h4-5H,2-3,6-11H2,1H3
InChIKeyBGBHSIVXGBGCST-UHFFFAOYSA-N
XLogP0.30
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine 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 N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine?
The IUPAC name of N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine (CID 91569646) is N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine.
What is the SMILES notation for N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine?
The canonical SMILES for N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine is CN1CCN(N=CC=NN2CCCC2)CC1.
What is the InChIKey of N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine?
The InChIKey is BGBHSIVXGBGCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-14-8-10-16(11-9-14)13-5-4-12-15-6-2-3-7-15/h4-5H,2-3,6-11H2,1H3.
What are the key properties of N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine?
N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine has a molecular weight of 223.32 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpiperazin-1-yl)-N-pyrrolidin-1-ylethane-1,2-diimine is sourced from PubChem (CID 91569646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).