1-ethenyl-N-methylpiperazin-2-imine

C7H13N3 — CID 144991602

IUPAC1-ethenyl-N-methylpiperazin-2-imine
SMILESC=CN1CCNC/C1=N\C
InChIInChI=1S/C7H13N3/c1-3-10-5-4-9-6-7(10)8-2/h3,9H,1,4-6H2,2H3/b8-7+
InChIKeyMHXXFLHSUKCKFY-BQYQJAHWSA-N
MW139.20 g/mol
LogP0.06
Rot. Bonds1

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

1-ethenyl-N-methylpiperazin-2-imine (PubChem CID 144991602) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-ethenyl-N-methylpiperazin-2-imine.

Molecular Properties

Compound Name1-ethenyl-N-methylpiperazin-2-imine
PubChem CID144991602
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-ethenyl-N-methylpiperazin-2-imine
SMILESC=CN1CCNC/C1=N\C
InChIInChI=1S/C7H13N3/c1-3-10-5-4-9-6-7(10)8-2/h3,9H,1,4-6H2,2H3/b8-7+
InChIKeyMHXXFLHSUKCKFY-BQYQJAHWSA-N
XLogP0.06
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.06
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
N,1-dimethylpiperazin-2-imine
CID 23435343
Dimethyl(piperazin-2-ylidene)azanium
CID 57293777
3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium chloride
CID 67516540
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
6,7,8,9-Tetrahydropyrazino[1,2-a]pyrimidine
CID 90983153
N-ethyl-1-methylpiperazin-2-imine
CID 91289608
N-ethenyl-1,4-dimethylpiperazin-2-imine
CID 117626237
2-amino-N-ethenyl-N'-methylethanimidamide
CID 123251387
N-ethenyl-1-piperazin-1-ylethanimine
CID 123747568
N-ethenyl-1-piperazin-1-ylpropan-1-imine
CID 123885929

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-N-methylpiperazin-2-imine?
The IUPAC name of 1-ethenyl-N-methylpiperazin-2-imine (CID 144991602) is 1-ethenyl-N-methylpiperazin-2-imine.
What is the SMILES notation for 1-ethenyl-N-methylpiperazin-2-imine?
The canonical SMILES for 1-ethenyl-N-methylpiperazin-2-imine is C=CN1CCNC/C1=N\C.
What is the InChIKey of 1-ethenyl-N-methylpiperazin-2-imine?
The InChIKey is MHXXFLHSUKCKFY-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-10-5-4-9-6-7(10)8-2/h3,9H,1,4-6H2,2H3/b8-7+.
What are the key properties of 1-ethenyl-N-methylpiperazin-2-imine?
1-ethenyl-N-methylpiperazin-2-imine has a molecular weight of 139.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-N-methylpiperazin-2-imine is sourced from PubChem (CID 144991602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).