1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide

C11H22N4 — CID 169104188

IUPAC1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide
SMILESC=C/C=N/C(C)=N/C.CN1CCNCC1
InChIInChI=1S/C6H10N2.C5H12N2/c1-4-5-8-6(2)7-3;1-7-4-2-6-3-5-7/h4-5H,1H2,2-3H3;6H,2-5H2,1H3/b7-6+,8-5+;
InChIKeyQSGIZKOCWAOJHA-SGVYSVLESA-N
MW210.32 g/mol
LogP0.81
Rot. Bonds1

About 1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide

1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide (PubChem CID 169104188) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide.

Molecular Properties

Compound Name1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide
PubChem CID169104188
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide
SMILESC=C/C=N/C(C)=N/C.CN1CCNCC1
InChIInChI=1S/C6H10N2.C5H12N2/c1-4-5-8-6(2)7-3;1-7-4-2-6-3-5-7/h4-5H,1H2,2-3H3;6H,2-5H2,1H3/b7-6+,8-5+;
InChIKeyQSGIZKOCWAOJHA-SGVYSVLESA-N
XLogP0.81
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.81
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

(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine
CID 135135368
N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene
CID 143703394
(Z)-N'-carbamimidoyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]prop-2-enimidamide
CID 145185672
acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide
CID 145241374
(Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine
CID 153330724
(Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine
CID 163573336
(E)-1-piperazin-1-yl-1-(prop-2-enylideneamino)prop-1-en-2-amine
CID 164074120
ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine
CID 171081334
(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide
CID 145241375

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide?
The IUPAC name of 1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide (CID 169104188) is 1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide.
What is the SMILES notation for 1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide?
The canonical SMILES for 1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide is C=C/C=N/C(C)=N/C.CN1CCNCC1.
What is the InChIKey of 1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide?
The InChIKey is QSGIZKOCWAOJHA-SGVYSVLESA-N. The full InChI is InChI=1S/C6H10N2.C5H12N2/c1-4-5-8-6(2)7-3;1-7-4-2-6-3-5-7/h4-5H,1H2,2-3H3;6H,2-5H2,1H3/b7-6+,8-5+;.
What are the key properties of 1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide?
1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide has a molecular weight of 210.32 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;N'-methyl-N-prop-2-enylideneethanimidamide is sourced from PubChem (CID 169104188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).