4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine

C11H21N3 — CID 130368555

IUPAC4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine
SMILESC=CN1CCN(C(C)(C)C)C/C1=N\C
InChIInChI=1S/C11H21N3/c1-6-13-7-8-14(11(2,3)4)9-10(13)12-5/h6H,1,7-9H2,2-5H3/b12-10+
InChIKeyOZAXQTRBPNLPQU-ZRDIBKRKSA-N
MW195.31 g/mol
LogP1.57
Rot. Bonds1

About 4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine

4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine (PubChem CID 130368555) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine.

Molecular Properties

Compound Name4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine
PubChem CID130368555
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine
SMILESC=CN1CCN(C(C)(C)C)C/C1=N\C
InChIInChI=1S/C11H21N3/c1-6-13-7-8-14(11(2,3)4)9-10(13)12-5/h6H,1,7-9H2,2-5H3/b12-10+
InChIKeyOZAXQTRBPNLPQU-ZRDIBKRKSA-N
XLogP1.57
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.57
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 4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine?
The IUPAC name of 4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine (CID 130368555) is 4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine.
What is the SMILES notation for 4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine?
The canonical SMILES for 4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine is C=CN1CCN(C(C)(C)C)C/C1=N\C.
What is the InChIKey of 4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine?
The InChIKey is OZAXQTRBPNLPQU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-13-7-8-14(11(2,3)4)9-10(13)12-5/h6H,1,7-9H2,2-5H3/b12-10+.
What are the key properties of 4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine?
4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine has a molecular weight of 195.31 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine is sourced from PubChem (CID 130368555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).