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'}

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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).