N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide

C11H23N5 — CID 118973132

IUPACN'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide
SMILESC/N=C/N/C(=C\CNC)N1CCN(C)CC1
InChIInChI=1S/C11H23N5/c1-12-5-4-11(14-10-13-2)16-8-6-15(3)7-9-16/h4,10,12H,5-9H2,1-3H3,(H,13,14)/b11-4+
InChIKeyRTUNZTFRNZLLDR-NYYWCZLTSA-N
MW225.34 g/mol
LogP-0.46
Rot. Bonds5

About N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide

N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide (PubChem CID 118973132) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide
PubChem CID118973132
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide
SMILESC/N=C/N/C(=C\CNC)N1CCN(C)CC1
InChIInChI=1S/C11H23N5/c1-12-5-4-11(14-10-13-2)16-8-6-15(3)7-9-16/h4,10,12H,5-9H2,1-3H3,(H,13,14)/b11-4+
InChIKeyRTUNZTFRNZLLDR-NYYWCZLTSA-N
XLogP-0.46
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide?
The IUPAC name of N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide (CID 118973132) is N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide is C/N=C/N/C(=C\CNC)N1CCN(C)CC1.
What is the InChIKey of N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide?
The InChIKey is RTUNZTFRNZLLDR-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H23N5/c1-12-5-4-11(14-10-13-2)16-8-6-15(3)7-9-16/h4,10,12H,5-9H2,1-3H3,(H,13,14)/b11-4+.
What are the key properties of N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide?
N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide has a molecular weight of 225.34 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide is sourced from PubChem (CID 118973132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).