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

C11H20N4 — CID 145241374

IUPACacetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide
SMILESC#C.C/N=C(N)/C=C\CN1CCNCC1
InChIInChI=1S/C9H18N4.C2H2/c1-11-9(10)3-2-6-13-7-4-12-5-8-13;1-2/h2-3,12H,4-8H2,1H3,(H2,10,11);1-2H/b3-2-;
InChIKeyJBVJTRPEIRMDOW-OLGQORCHSA-N
MW208.31 g/mol
LogP-0.32
Rot. Bonds3

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

acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide (PubChem CID 145241374) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide.

Molecular Properties

Compound Nameacetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide
PubChem CID145241374
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Nameacetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide
SMILESC#C.C/N=C(N)/C=C\CN1CCNCC1
InChIInChI=1S/C9H18N4.C2H2/c1-11-9(10)3-2-6-13-7-4-12-5-8-13;1-2/h2-3,12H,4-8H2,1H3,(H2,10,11);1-2H/b3-2-;
InChIKeyJBVJTRPEIRMDOW-OLGQORCHSA-N
XLogP-0.32
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.32
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-5-methyl-4-methylidenehex-2-enyl]piperazine
CID 166698613
(E)-4-(1,4-diazepan-1-yl)but-2-enoic acid
CID 62343930
1-penta-2,4-dienylpiperazine
CID 54045555
(E)-5-piperazin-1-ylpent-3-enal
CID 115013452
1-[(Z)-3-methoxybut-2-enyl]piperazine
CID 166729699
4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine
CID 177231949
2-piperazin-1-ylacetaldehyde;hydrochloride
CID 129057449
(Z)-N'-methyl-3-(2-morpholin-4-ylethylamino)prop-2-enimidamide
CID 142291131
1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
molecular iodine;2-piperazin-1-ylacetaldehyde
CID 159058058
methanamine;2-piperazin-1-ylethanol
CID 142253011
2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol
CID 14070346

Frequently Asked Questions

What is the IUPAC name of acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide?
The IUPAC name of acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide (CID 145241374) is acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide.
What is the SMILES notation for acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide?
The canonical SMILES for acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide is C#C.C/N=C(N)/C=C\CN1CCNCC1.
What is the InChIKey of acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide?
The InChIKey is JBVJTRPEIRMDOW-OLGQORCHSA-N. The full InChI is InChI=1S/C9H18N4.C2H2/c1-11-9(10)3-2-6-13-7-4-12-5-8-13;1-2/h2-3,12H,4-8H2,1H3,(H2,10,11);1-2H/b3-2-;.
What are the key properties of acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide?
acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide has a molecular weight of 208.31 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(Z)-N'-methyl-4-piperazin-1-ylbut-2-enimidamide is sourced from PubChem (CID 145241374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).