ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine

C14H33N3 — CID 144720928

IUPACethane;1-ethenyl-N,4-dimethylpiperazin-2-imine
SMILESC=CN1CCN(C)C/C1=N\C.CC.CC.CC
InChIInChI=1S/C8H15N3.3C2H6/c1-4-11-6-5-10(3)7-8(11)9-2;3*1-2/h4H,1,5-7H2,2-3H3;3*1-2H3/b9-8+;;;
InChIKeyNOBQBBNCYTYETN-BILRHTGOSA-N
MW243.44 g/mol
LogP3.48
Rot. Bonds1

About ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine

ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine (PubChem CID 144720928) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine.

Molecular Properties

Compound Nameethane;1-ethenyl-N,4-dimethylpiperazin-2-imine
PubChem CID144720928
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Nameethane;1-ethenyl-N,4-dimethylpiperazin-2-imine
SMILESC=CN1CCN(C)C/C1=N\C.CC.CC.CC
InChIInChI=1S/C8H15N3.3C2H6/c1-4-11-6-5-10(3)7-8(11)9-2;3*1-2/h4H,1,5-7H2,2-3H3;3*1-2H3/b9-8+;;;
InChIKeyNOBQBBNCYTYETN-BILRHTGOSA-N
XLogP3.48
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.48
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 ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine?
The IUPAC name of ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine (CID 144720928) is ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine.
What is the SMILES notation for ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine?
The canonical SMILES for ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine is C=CN1CCN(C)C/C1=N\C.CC.CC.CC.
What is the InChIKey of ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine?
The InChIKey is NOBQBBNCYTYETN-BILRHTGOSA-N. The full InChI is InChI=1S/C8H15N3.3C2H6/c1-4-11-6-5-10(3)7-8(11)9-2;3*1-2/h4H,1,5-7H2,2-3H3;3*1-2H3/b9-8+;;;.
What are the key properties of ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine?
ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine has a molecular weight of 243.44 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine is sourced from PubChem (CID 144720928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).