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

C12H26N4 — CID 10656881

IUPACN'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide
SMILESC/N=C(\N)C1CN(C(C)C)CCN1C(C)C
InChIInChI=1S/C12H26N4/c1-9(2)15-6-7-16(10(3)4)11(8-15)12(13)14-5/h9-11H,6-8H2,1-5H3,(H2,13,14)
InChIKeyPQYGWTLRXPHPFV-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.78
Rot. Bonds3

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

N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide (PubChem CID 10656881) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide
PubChem CID10656881
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide
SMILESC/N=C(\N)C1CN(C(C)C)CCN1C(C)C
InChIInChI=1S/C12H26N4/c1-9(2)15-6-7-16(10(3)4)11(8-15)12(13)14-5/h9-11H,6-8H2,1-5H3,(H2,13,14)
InChIKeyPQYGWTLRXPHPFV-UHFFFAOYSA-N
XLogP0.78
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 9859549
CID 9859549
2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(2-methylpropyl)piperazine
CID 9860125
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1-(2-methylpropyl)piperazine
CID 10609210
2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1,4-di(propan-2-yl)piperazine
CID 10682265
2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-4-(2-methylpropyl)piperazine
CID 10823041
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19369330
3-(1,4,4-Trimethylpiperazine-1,4-diium-1-yl)propanimidamide
CID 21340611
2-Piperazin-1-ylbutanimidamide
CID 54261988
1-piperazin-1-yl-N-propan-2-ylpropan-1-imine
CID 67208025
2-[4-(1,3-Diamino-1,3-diiminopropan-2-yl)piperazin-1-yl]propanediimidamide
CID 68499839
3-[2-(dimethylamino)ethyl-methylamino]-N'-(1-methylpiperidin-4-yl)propanimidamide
CID 123370044
3-imino-N'-[3-imino-3-(4-propylpiperazin-1-yl)propanimidoyl]butanimidamide
CID 123479235

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide?
The IUPAC name of N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide (CID 10656881) is N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide.
What is the SMILES notation for N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide?
The canonical SMILES for N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide is C/N=C(\N)C1CN(C(C)C)CCN1C(C)C.
What is the InChIKey of N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide?
The InChIKey is PQYGWTLRXPHPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-9(2)15-6-7-16(10(3)4)11(8-15)12(13)14-5/h9-11H,6-8H2,1-5H3,(H2,13,14).
What are the key properties of N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide?
N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide has a molecular weight of 226.37 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide is sourced from PubChem (CID 10656881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).