N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide

C12H24N4 — CID 155581956

IUPACN'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide
SMILESC/N=C/N/C(C)=C(/C)CN1CCN(C)CC1
InChIInChI=1S/C12H24N4/c1-11(12(2)14-10-13-3)9-16-7-5-15(4)6-8-16/h10H,5-9H2,1-4H3,(H,13,14)/b12-11-
InChIKeyXDXAFFBPHAQEFI-QXMHVHEDSA-N
MW224.35 g/mol
LogP0.78
Rot. Bonds4

About N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide

N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide (PubChem CID 155581956) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide
PubChem CID155581956
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide
SMILESC/N=C/N/C(C)=C(/C)CN1CCN(C)CC1
InChIInChI=1S/C12H24N4/c1-11(12(2)14-10-13-3)9-16-7-5-15(4)6-8-16/h10H,5-9H2,1-4H3,(H,13,14)/b12-11-
InChIKeyXDXAFFBPHAQEFI-QXMHVHEDSA-N
XLogP0.78
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.78
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'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide
CID 126706479
5-N-butyl-6-methyl-1,4-dihydropyrimidine-4,5-diamine
CID 135172663
N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen
CID 145331086
(2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen
CID 145331124
(8E)-8,9-dimethyl-4,5,6,7-tetrahydro-1H-1,3,6-triazonine
CID 156403823
6-methyl-5-N-(2-methylprop-2-enyl)-1,4-dihydropyrimidine-2,4,5-triamine
CID 163970964

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide (CID 155581956) is N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide is C/N=C/N/C(C)=C(/C)CN1CCN(C)CC1.
What is the InChIKey of N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide?
The InChIKey is XDXAFFBPHAQEFI-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H24N4/c1-11(12(2)14-10-13-3)9-16-7-5-15(4)6-8-16/h10H,5-9H2,1-4H3,(H,13,14)/b12-11-.
What are the key properties of N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide?
N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide has a molecular weight of 224.35 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(Z)-3-methyl-4-(4-methylpiperazin-1-yl)but-2-en-2-yl]methanimidamide is sourced from PubChem (CID 155581956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).