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

C9H17N3 — CID 176673066

IUPAC1-ethenyl-4-ethyl-N-methylpiperazin-2-imine
SMILESC=CN1CCN(CC)C/C1=N\C
InChIInChI=1S/C9H17N3/c1-4-11-6-7-12(5-2)9(8-11)10-3/h5H,2,4,6-8H2,1,3H3/b10-9+
InChIKeyKSELZATTXFGCLV-MDZDMXLPSA-N
MW167.26 g/mol
LogP0.80
Rot. Bonds2

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

1-ethenyl-4-ethyl-N-methylpiperazin-2-imine (PubChem CID 176673066) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-ethenyl-4-ethyl-N-methylpiperazin-2-imine.

Molecular Properties

Compound Name1-ethenyl-4-ethyl-N-methylpiperazin-2-imine
PubChem CID176673066
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-ethenyl-4-ethyl-N-methylpiperazin-2-imine
SMILESC=CN1CCN(CC)C/C1=N\C
InChIInChI=1S/C9H17N3/c1-4-11-6-7-12(5-2)9(8-11)10-3/h5H,2,4,6-8H2,1,3H3/b10-9+
InChIKeyKSELZATTXFGCLV-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 1-ethenyl-4-ethyl-N-methylpiperazin-2-imine?
The IUPAC name of 1-ethenyl-4-ethyl-N-methylpiperazin-2-imine (CID 176673066) is 1-ethenyl-4-ethyl-N-methylpiperazin-2-imine.
What is the SMILES notation for 1-ethenyl-4-ethyl-N-methylpiperazin-2-imine?
The canonical SMILES for 1-ethenyl-4-ethyl-N-methylpiperazin-2-imine is C=CN1CCN(CC)C/C1=N\C.
What is the InChIKey of 1-ethenyl-4-ethyl-N-methylpiperazin-2-imine?
The InChIKey is KSELZATTXFGCLV-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-11-6-7-12(5-2)9(8-11)10-3/h5H,2,4,6-8H2,1,3H3/b10-9+.
What are the key properties of 1-ethenyl-4-ethyl-N-methylpiperazin-2-imine?
1-ethenyl-4-ethyl-N-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 1-ethenyl-4-ethyl-N-methylpiperazin-2-imine is sourced from PubChem (CID 176673066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).