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

C11H22N4 — CID 142443940

IUPACethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
SMILESC=C/N=C(/CN1CCNCC1)N=C.CC
InChIInChI=1S/C9H16N4.C2H6/c1-3-12-9(10-2)8-13-6-4-11-5-7-13;1-2/h3,11H,1-2,4-8H2;1-2H3/b12-9-;
InChIKeyLJBPFWMUCUNANH-MWMYENNMSA-N
MW210.32 g/mol
LogP1.16
Rot. Bonds3

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

ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide (PubChem CID 142443940) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide.

Molecular Properties

Compound Nameethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
PubChem CID142443940
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Nameethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
SMILESC=C/N=C(/CN1CCNCC1)N=C.CC
InChIInChI=1S/C9H16N4.C2H6/c1-3-12-9(10-2)8-13-6-4-11-5-7-13;1-2/h3,11H,1-2,4-8H2;1-2H3/b12-9-;
InChIKeyLJBPFWMUCUNANH-MWMYENNMSA-N
XLogP1.16
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.16
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

2-[1-(Ethenylamino)ethylideneamino]ethyl-trimethylazanium
CID 88544387
N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide
CID 118970815
N-ethenyl-1-piperazin-1-ylethanimine
CID 123747568
N'-[2-(dimethylamino)ethyl]-N-ethenylethanimidamide
CID 123779192
N-ethenyl-1-piperazin-1-ylpropan-1-imine
CID 123885929
N-ethenyl-1-methylpiperazin-2-imine
CID 134309172
(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine
CID 135135368
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
(Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide
CID 145185672

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide?
The IUPAC name of ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide (CID 142443940) is ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide.
What is the SMILES notation for ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide?
The canonical SMILES for ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide is C=C/N=C(/CN1CCNCC1)N=C.CC.
What is the InChIKey of ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide?
The InChIKey is LJBPFWMUCUNANH-MWMYENNMSA-N. The full InChI is InChI=1S/C9H16N4.C2H6/c1-3-12-9(10-2)8-13-6-4-11-5-7-13;1-2/h3,11H,1-2,4-8H2;1-2H3/b12-9-;.
What are the key properties of ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide?
ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide has a molecular weight of 210.32 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide is sourced from PubChem (CID 142443940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).