methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide

C10H18N4 — CID 147573725

IUPACmethyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide
SMILESC=C(C)C(N(C)C#N)N1CCNCC1
InChIInChI=1S/C10H18N4/c1-9(2)10(13(3)8-11)14-6-4-12-5-7-14/h10,12H,1,4-7H2,2-3H3
InChIKeyFVAVHIGEIXOPSU-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.21
Rot. Bonds3

About methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide

methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide (PubChem CID 147573725) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide.

Molecular Properties

Compound Namemethyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide
PubChem CID147573725
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Namemethyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide
SMILESC=C(C)C(N(C)C#N)N1CCNCC1
InChIInChI=1S/C10H18N4/c1-9(2)10(13(3)8-11)14-6-4-12-5-7-14/h10,12H,1,4-7H2,2-3H3
InChIKeyFVAVHIGEIXOPSU-UHFFFAOYSA-N
XLogP0.21
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide?
The IUPAC name of methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide (CID 147573725) is methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide.
What is the SMILES notation for methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide?
The canonical SMILES for methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide is C=C(C)C(N(C)C#N)N1CCNCC1.
What is the InChIKey of methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide?
The InChIKey is FVAVHIGEIXOPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-9(2)10(13(3)8-11)14-6-4-12-5-7-14/h10,12H,1,4-7H2,2-3H3.
What are the key properties of methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide?
methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide has a molecular weight of 194.28 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-1-piperazin-1-ylprop-2-enyl)cyanamide is sourced from PubChem (CID 147573725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).