N-ethenyl-1-methylpiperazin-2-imine

C7H13N3 — CID 134309172

IUPACN-ethenyl-1-methylpiperazin-2-imine
SMILESC=C/N=C1\CNCCN1C
InChIInChI=1S/C7H13N3/c1-3-9-7-6-8-4-5-10(7)2/h3,8H,1,4-6H2,2H3/b9-7+
InChIKeyLRTDBDPQXVFDHQ-VQHVLOKHSA-N
MW139.20 g/mol
LogP0.06
Rot. Bonds1

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

N-ethenyl-1-methylpiperazin-2-imine (PubChem CID 134309172) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-ethenyl-1-methylpiperazin-2-imine.

Molecular Properties

Compound NameN-ethenyl-1-methylpiperazin-2-imine
PubChem CID134309172
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-ethenyl-1-methylpiperazin-2-imine
SMILESC=C/N=C1\CNCCN1C
InChIInChI=1S/C7H13N3/c1-3-9-7-6-8-4-5-10(7)2/h3,8H,1,4-6H2,2H3/b9-7+
InChIKeyLRTDBDPQXVFDHQ-VQHVLOKHSA-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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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-methylpiperazin-2-imine?
The IUPAC name of N-ethenyl-1-methylpiperazin-2-imine (CID 134309172) is N-ethenyl-1-methylpiperazin-2-imine.
What is the SMILES notation for N-ethenyl-1-methylpiperazin-2-imine?
The canonical SMILES for N-ethenyl-1-methylpiperazin-2-imine is C=C/N=C1\CNCCN1C.
What is the InChIKey of N-ethenyl-1-methylpiperazin-2-imine?
The InChIKey is LRTDBDPQXVFDHQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-9-7-6-8-4-5-10(7)2/h3,8H,1,4-6H2,2H3/b9-7+.
What are the key properties of N-ethenyl-1-methylpiperazin-2-imine?
N-ethenyl-1-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 N-ethenyl-1-methylpiperazin-2-imine is sourced from PubChem (CID 134309172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).