N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide

C9H16N4 — CID 142443941

IUPACN'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
SMILESC=C/N=C(/CN1CCNCC1)N=C
InChIInChI=1S/C9H16N4/c1-3-12-9(10-2)8-13-6-4-11-5-7-13/h3,11H,1-2,4-8H2/b12-9-
InChIKeyGDIYDQVZEVQRDC-XFXZXTDPSA-N
MW180.25 g/mol
LogP0.13
Rot. Bonds3

About N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide

N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide (PubChem CID 142443941) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
PubChem CID142443941
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
SMILESC=C/N=C(/CN1CCNCC1)N=C
InChIInChI=1S/C9H16N4/c1-3-12-9(10-2)8-13-6-4-11-5-7-13/h3,11H,1-2,4-8H2/b12-9-
InChIKeyGDIYDQVZEVQRDC-XFXZXTDPSA-N
XLogP0.13
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.13
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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Related Compounds

N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide
CID 118970815
N-ethenyl-1-piperazin-1-ylethanimine
CID 123747568
N-ethenyl-1-methylpiperazin-2-imine
CID 134309172
ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
CID 142443940
2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide
CID 143254213
ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide
CID 143734602
N'-ethenyl-N-methyl-1-piperazin-1-ylethane-1,2-diimine
CID 144105655
1-ethenyl-N-methylpiperazin-2-imine
CID 144991602
ethane;1-ethenyl-N-methylpiperazin-2-imine
CID 145392859
3-Piperazin-1-yl-1,2-dihydropyrazine
CID 150069606
2-piperazin-1-ylethanamine;2-(2H-pyrazin-1-yl)ethanamine
CID 159872000
1-ethenylpiperazine;1-ethenyl-2H-pyrazine
CID 160327926

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide?
The IUPAC name of N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide (CID 142443941) is N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide.
What is the SMILES notation for N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide?
The canonical SMILES for N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide is C=C/N=C(/CN1CCNCC1)N=C.
What is the InChIKey of N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide?
The InChIKey is GDIYDQVZEVQRDC-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-12-9(10-2)8-13-6-4-11-5-7-13/h3,11H,1-2,4-8H2/b12-9-.
What are the key properties of N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide?
N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide has a molecular weight of 180.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide is sourced from PubChem (CID 142443941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).