N-ethenyl-1-ethyl-4-methylpiperazin-2-imine

C9H17N3 — CID 144729341

IUPACN-ethenyl-1-ethyl-4-methylpiperazin-2-imine
SMILESC=C/N=C1\CN(C)CCN1CC
InChIInChI=1S/C9H17N3/c1-4-10-9-8-11(3)6-7-12(9)5-2/h4H,1,5-8H2,2-3H3/b10-9+
InChIKeyILBQYDINQAOGKW-MDZDMXLPSA-N
MW167.26 g/mol
LogP0.80
Rot. Bonds2

About N-ethenyl-1-ethyl-4-methylpiperazin-2-imine

N-ethenyl-1-ethyl-4-methylpiperazin-2-imine (PubChem CID 144729341) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-ethenyl-1-ethyl-4-methylpiperazin-2-imine.

Molecular Properties

Compound NameN-ethenyl-1-ethyl-4-methylpiperazin-2-imine
PubChem CID144729341
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-ethenyl-1-ethyl-4-methylpiperazin-2-imine
SMILESC=C/N=C1\CN(C)CCN1CC
InChIInChI=1S/C9H17N3/c1-4-10-9-8-11(3)6-7-12(9)5-2/h4H,1,5-8H2,2-3H3/b10-9+
InChIKeyILBQYDINQAOGKW-MDZDMXLPSA-N
XLogP0.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
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-ethyl-4-methylpiperazin-2-imine?
The IUPAC name of N-ethenyl-1-ethyl-4-methylpiperazin-2-imine (CID 144729341) is N-ethenyl-1-ethyl-4-methylpiperazin-2-imine.
What is the SMILES notation for N-ethenyl-1-ethyl-4-methylpiperazin-2-imine?
The canonical SMILES for N-ethenyl-1-ethyl-4-methylpiperazin-2-imine is C=C/N=C1\CN(C)CCN1CC.
What is the InChIKey of N-ethenyl-1-ethyl-4-methylpiperazin-2-imine?
The InChIKey is ILBQYDINQAOGKW-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-10-9-8-11(3)6-7-12(9)5-2/h4H,1,5-8H2,2-3H3/b10-9+.
What are the key properties of N-ethenyl-1-ethyl-4-methylpiperazin-2-imine?
N-ethenyl-1-ethyl-4-methylpiperazin-2-imine has a molecular weight of 167.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-ethyl-4-methylpiperazin-2-imine is sourced from PubChem (CID 144729341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).