ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide

C11H24N4 — CID 143088469

IUPACethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide
SMILESC=C(C)N1CCN(/C(N)=N/C)CC1.CC
InChIInChI=1S/C9H18N4.C2H6/c1-8(2)12-4-6-13(7-5-12)9(10)11-3;1-2/h1,4-7H2,2-3H3,(H2,10,11);1-2H3
InChIKeyOXJXLWFBQJANAT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.11
Rot. Bonds1

About ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide

ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide (PubChem CID 143088469) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound Nameethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide
PubChem CID143088469
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Nameethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide
SMILESC=C(C)N1CCN(/C(N)=N/C)CC1.CC
InChIInChI=1S/C9H18N4.C2H6/c1-8(2)12-4-6-13(7-5-12)9(10)11-3;1-2/h1,4-7H2,2-3H3,(H2,10,11);1-2H3
InChIKeyOXJXLWFBQJANAT-UHFFFAOYSA-N
XLogP1.11
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.11
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide?
The IUPAC name of ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide (CID 143088469) is ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide is C=C(C)N1CCN(/C(N)=N/C)CC1.CC.
What is the InChIKey of ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide?
The InChIKey is OXJXLWFBQJANAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4.C2H6/c1-8(2)12-4-6-13(7-5-12)9(10)11-3;1-2/h1,4-7H2,2-3H3,(H2,10,11);1-2H3.
What are the key properties of ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide?
ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide has a molecular weight of 212.34 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-4-prop-1-en-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 143088469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).