4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide

C12H26N4 — CID 20641656

IUPAC4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide
SMILESCC(C)/N=C(/NC(C)C)N1CCN(C)CC1
InChIInChI=1S/C12H26N4/c1-10(2)13-12(14-11(3)4)16-8-6-15(5)7-9-16/h10-11H,6-9H2,1-5H3,(H,13,14)
InChIKeyJCJRDGBLSWWKOU-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.00
Rot. Bonds2

About 4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide

4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide (PubChem CID 20641656) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide
PubChem CID20641656
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide
SMILESCC(C)/N=C(/NC(C)C)N1CCN(C)CC1
InChIInChI=1S/C12H26N4/c1-10(2)13-12(14-11(3)4)16-8-6-15(5)7-9-16/h10-11H,6-9H2,1-5H3,(H,13,14)
InChIKeyJCJRDGBLSWWKOU-UHFFFAOYSA-N
XLogP1.00
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide 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 4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of 4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide (CID 20641656) is 4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for 4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide is CC(C)/N=C(/NC(C)C)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide?
The InChIKey is JCJRDGBLSWWKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-10(2)13-12(14-11(3)4)16-8-6-15(5)7-9-16/h10-11H,6-9H2,1-5H3,(H,13,14).
What are the key properties of 4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide?
4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide has a molecular weight of 226.37 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 20641656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).