ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide

C10H20N4 — CID 168939199

IUPACethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide
SMILESC=C/N=C(\N=C)N1CCNCC1.CC
InChIInChI=1S/C8H14N4.C2H6/c1-3-11-8(9-2)12-6-4-10-5-7-12;1-2/h3,10H,1-2,4-7H2;1-2H3/b11-8+;
InChIKeyWAEVXECVBNCLJI-YGCVIUNWSA-N
MW196.30 g/mol
LogP1.12
Rot. Bonds1

About ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide

ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide (PubChem CID 168939199) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide.

Molecular Properties

Compound Nameethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide
PubChem CID168939199
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Nameethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide
SMILESC=C/N=C(\N=C)N1CCNCC1.CC
InChIInChI=1S/C8H14N4.C2H6/c1-3-11-8(9-2)12-6-4-10-5-7-12;1-2/h3,10H,1-2,4-7H2;1-2H3/b11-8+;
InChIKeyWAEVXECVBNCLJI-YGCVIUNWSA-N
XLogP1.12
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.12
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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Related Compounds

N'-ethenyl-4-(methylamino)-N-methylidenepiperidine-1-carboximidamide
CID 144519605
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine
CID 143059100
(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine
CID 134406292
tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate
CID 142456979
1-[(3E)-hexa-3,5-dien-3-yl]piperazine
CID 144808448
N'-[(Z)-2-aminoethenyl]piperazine-1-carboximidamide
CID 155722729
2-piperazin-1-ylprop-2-enal
CID 173106377
ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
CID 143734563
ethene;1-piperazin-1-ylethanone
CID 145071339
ethane;N-ethenylprop-2-en-1-imine;1-methylpiperazine;propane
CID 169104195
(2E)-2-hydroxyimino-1-piperazin-1-ylethanone
CID 153463003
2,2,2-trifluoro-N-methylidene-N'-[(Z)-1-oxo-1-piperazin-1-ylbut-2-en-2-yl]ethanimidamide
CID 166981914

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide?
The IUPAC name of ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide (CID 168939199) is ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide.
What is the SMILES notation for ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide?
The canonical SMILES for ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide is C=C/N=C(\N=C)N1CCNCC1.CC.
What is the InChIKey of ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide?
The InChIKey is WAEVXECVBNCLJI-YGCVIUNWSA-N. The full InChI is InChI=1S/C8H14N4.C2H6/c1-3-11-8(9-2)12-6-4-10-5-7-12;1-2/h3,10H,1-2,4-7H2;1-2H3/b11-8+;.
What are the key properties of ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide?
ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide has a molecular weight of 196.30 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide is sourced from PubChem (CID 168939199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).