ethane;1-ethenyl-N-methylpiperazin-2-imine

C9H19N3 — CID 145392859

IUPACethane;1-ethenyl-N-methylpiperazin-2-imine
SMILESC=CN1CCNC/C1=N\C.CC
InChIInChI=1S/C7H13N3.C2H6/c1-3-10-5-4-9-6-7(10)8-2;1-2/h3,9H,1,4-6H2,2H3;1-2H3/b8-7+;
InChIKeyFBHNANQVOSXRLS-USRGLUTNSA-N
MW169.27 g/mol
LogP1.09
Rot. Bonds1

About ethane;1-ethenyl-N-methylpiperazin-2-imine

ethane;1-ethenyl-N-methylpiperazin-2-imine (PubChem CID 145392859) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;1-ethenyl-N-methylpiperazin-2-imine.

Molecular Properties

Compound Nameethane;1-ethenyl-N-methylpiperazin-2-imine
PubChem CID145392859
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;1-ethenyl-N-methylpiperazin-2-imine
SMILESC=CN1CCNC/C1=N\C.CC
InChIInChI=1S/C7H13N3.C2H6/c1-3-10-5-4-9-6-7(10)8-2;1-2/h3,9H,1,4-6H2,2H3;1-2H3/b8-7+;
InChIKeyFBHNANQVOSXRLS-USRGLUTNSA-N
XLogP1.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 17821438
1-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 20095166
3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium chloride
CID 67516540
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
1-ethenyl-2-methyl-4,5-dihydroimidazole;2-methyl-4,5-dihydro-1H-imidazole
CID 67701861
(Z)-2-(1-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 69914758
2-[1-(Ethenylamino)ethylideneamino]ethyl-trimethylazanium
CID 88544387
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
N-ethenyl-1,4-dimethylpiperazin-2-imine
CID 117626237
N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide
CID 118970815
N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
CID 123357654
1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
CID 123586617

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-N-methylpiperazin-2-imine?
The IUPAC name of ethane;1-ethenyl-N-methylpiperazin-2-imine (CID 145392859) is ethane;1-ethenyl-N-methylpiperazin-2-imine.
What is the SMILES notation for ethane;1-ethenyl-N-methylpiperazin-2-imine?
The canonical SMILES for ethane;1-ethenyl-N-methylpiperazin-2-imine is C=CN1CCNC/C1=N\C.CC.
What is the InChIKey of ethane;1-ethenyl-N-methylpiperazin-2-imine?
The InChIKey is FBHNANQVOSXRLS-USRGLUTNSA-N. The full InChI is InChI=1S/C7H13N3.C2H6/c1-3-10-5-4-9-6-7(10)8-2;1-2/h3,9H,1,4-6H2,2H3;1-2H3/b8-7+;.
What are the key properties of ethane;1-ethenyl-N-methylpiperazin-2-imine?
ethane;1-ethenyl-N-methylpiperazin-2-imine has a molecular weight of 169.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-N-methylpiperazin-2-imine is sourced from PubChem (CID 145392859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).