2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide

C11H22N4 — CID 143254213

IUPAC2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide
SMILESC=CN1CCN(C/C(N)=N/C(C)C)CC1
InChIInChI=1S/C11H22N4/c1-4-14-5-7-15(8-6-14)9-11(12)13-10(2)3/h4,10H,1,5-9H2,2-3H3,(H2,12,13)
InChIKeyJAMPFIPIGLOHHJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.51
Rot. Bonds4

About 2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide

2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide (PubChem CID 143254213) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound Name2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide
PubChem CID143254213
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide
SMILESC=CN1CCN(C/C(N)=N/C(C)C)CC1
InChIInChI=1S/C11H22N4/c1-4-14-5-7-15(8-6-14)9-11(12)13-10(2)3/h4,10H,1,5-9H2,2-3H3,(H2,12,13)
InChIKeyJAMPFIPIGLOHHJ-UHFFFAOYSA-N
XLogP0.51
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
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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Related Compounds

N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine
CID 130347840
ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
CID 142443940
N'-[(E)-2-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]prop-1-enyl]ethanimidamide
CID 144709362
N-ethenyl-4-propan-2-yl-3,5-dihydro-2H-pyrazin-6-amine
CID 164836760
N-ethenyl-N'-[(2S)-3-(4-methylpiperazin-1-yl)butan-2-yl]ethanimidamide
CID 173920230
1-Ethenyl-4-propan-2-ylpiperazin-2-imine
CID 176673058
N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
CID 142443941

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide?
The IUPAC name of 2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide (CID 143254213) is 2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide.
What is the SMILES notation for 2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide?
The canonical SMILES for 2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide is C=CN1CCN(C/C(N)=N/C(C)C)CC1.
What is the InChIKey of 2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide?
The InChIKey is JAMPFIPIGLOHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-14-5-7-15(8-6-14)9-11(12)13-10(2)3/h4,10H,1,5-9H2,2-3H3,(H2,12,13).
What are the key properties of 2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide?
2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide has a molecular weight of 210.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylpiperazin-1-yl)-N'-propan-2-ylethanimidamide is sourced from PubChem (CID 143254213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).