4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane

C11H24N4 — CID 145201562

IUPAC4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane
SMILESCC.[H]/N=C/N1CCN(C(C)(C)C)C/C1=N\[H]
InChIInChI=1S/C9H18N4.C2H6/c1-9(2,3)13-5-4-12(7-10)8(11)6-13;1-2/h7,10-11H,4-6H2,1-3H3;1-2H3/b10-7+,11-8+;
InChIKeyPLWRNHWJBXKZQC-YXFMPUTOSA-N
MW212.34 g/mol
LogP2.01
Rot. Bonds1

About 4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane

4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane (PubChem CID 145201562) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane.

Molecular Properties

Compound Name4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane
PubChem CID145201562
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane
SMILESCC.[H]/N=C/N1CCN(C(C)(C)C)C/C1=N\[H]
InChIInChI=1S/C9H18N4.C2H6/c1-9(2,3)13-5-4-12(7-10)8(11)6-13;1-2/h7,10-11H,4-6H2,1-3H3;1-2H3/b10-7+,11-8+;
InChIKeyPLWRNHWJBXKZQC-YXFMPUTOSA-N
XLogP2.01
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane?
The IUPAC name of 4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane (CID 145201562) is 4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane.
What is the SMILES notation for 4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane?
The canonical SMILES for 4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane is CC.[H]/N=C/N1CCN(C(C)(C)C)C/C1=N\[H].
What is the InChIKey of 4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane?
The InChIKey is PLWRNHWJBXKZQC-YXFMPUTOSA-N. The full InChI is InChI=1S/C9H18N4.C2H6/c1-9(2,3)13-5-4-12(7-10)8(11)6-13;1-2/h7,10-11H,4-6H2,1-3H3;1-2H3/b10-7+,11-8+;.
What are the key properties of 4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane?
4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane has a molecular weight of 212.34 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methanimidoylpiperazin-2-imine;ethane is sourced from PubChem (CID 145201562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).