N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide

C10H20N4 — CID 126706479

IUPACN'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide
SMILESC/C=C(/CN1CCNCC1)N/C=N/C
InChIInChI=1S/C10H20N4/c1-3-10(13-9-11-2)8-14-6-4-12-5-7-14/h3,9,12H,4-8H2,1-2H3,(H,11,13)/b10-3-
InChIKeyHBRYKAIVPQRLOP-KMKOMSMNSA-N
MW196.30 g/mol
LogP0.04
Rot. Bonds4

About N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide

N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide (PubChem CID 126706479) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide
PubChem CID126706479
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide
SMILESC/C=C(/CN1CCNCC1)N/C=N/C
InChIInChI=1S/C10H20N4/c1-3-10(13-9-11-2)8-14-6-4-12-5-7-14/h3,9,12H,4-8H2,1-2H3,(H,11,13)/b10-3-
InChIKeyHBRYKAIVPQRLOP-KMKOMSMNSA-N
XLogP0.04
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.04
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 N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide (CID 126706479) is N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide is C/C=C(/CN1CCNCC1)N/C=N/C.
What is the InChIKey of N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide?
The InChIKey is HBRYKAIVPQRLOP-KMKOMSMNSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-10(13-9-11-2)8-14-6-4-12-5-7-14/h3,9,12H,4-8H2,1-2H3,(H,11,13)/b10-3-.
What are the key properties of N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide?
N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide has a molecular weight of 196.30 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide is sourced from PubChem (CID 126706479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).