(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide

C9H18N4 — CID 145241375

IUPAC(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide
SMILESC/N=C(N)/C=C\CN1CCNCC1
InChIInChI=1S/C9H18N4/c1-11-9(10)3-2-6-13-7-4-12-5-8-13/h2-3,12H,4-8H2,1H3,(H2,10,11)/b3-2-
InChIKeyLBMUMHFRNAGQEN-IHWYPQMZSA-N
MW182.27 g/mol
LogP-0.57
Rot. Bonds3

About (Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide

(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide (PubChem CID 145241375) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is (Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide
PubChem CID145241375
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide
SMILESC/N=C(N)/C=C\CN1CCNCC1
InChIInChI=1S/C9H18N4/c1-11-9(10)3-2-6-13-7-4-12-5-8-13/h2-3,12H,4-8H2,1H3,(H2,10,11)/b3-2-
InChIKeyLBMUMHFRNAGQEN-IHWYPQMZSA-N
XLogP-0.57
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.57
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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Related Compounds

(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(Z)-2-(1-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 69914758
N-methyl-1-piperazin-1-ylprop-2-en-1-imine
CID 123212426
(E)-N-[1-amino-3-(3,5-dimethylpiperazin-1-yl)-3-iminopropylidene]-N'-methylbut-2-enimidamide
CID 123214432
1-piperazin-1-yl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 143698770
N,N'-diethyl-1-piperazin-1-ylethane-1,2-diimine;ethane;prop-1-ene
CID 143703394
(Z)-N-methyl-1-piperazin-1-ylpent-2-en-1-imine
CID 144562517
(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
ethane;(2Z)-2-(4-ethylpiperazin-2-ylidene)ethanimidamide
CID 145573509
(2Z)-2-(4,5-dimethylpiperazin-2-ylidene)-N'-methylethanimidamide
CID 148190135
(Z)-N-methyl-1-piperazin-1-ylbut-2-en-1-imine
CID 153330724

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide?
The IUPAC name of (Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide (CID 145241375) is (Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide.
What is the SMILES notation for (Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide?
The canonical SMILES for (Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide is C/N=C(N)/C=C\CN1CCNCC1.
What is the InChIKey of (Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide?
The InChIKey is LBMUMHFRNAGQEN-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H18N4/c1-11-9(10)3-2-6-13-7-4-12-5-8-13/h2-3,12H,4-8H2,1H3,(H2,10,11)/b3-2-.
What are the key properties of (Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide?
(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide has a molecular weight of 182.27 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide is sourced from PubChem (CID 145241375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).