N-methyl-1-prop-1-en-2-ylpiperazin-2-imine

C8H15N3 — CID 123565634

IUPACN-methyl-1-prop-1-en-2-ylpiperazin-2-imine
SMILESC=C(C)N1CCNC/C1=N\C
InChIInChI=1S/C8H15N3/c1-7(2)11-5-4-10-6-8(11)9-3/h10H,1,4-6H2,2-3H3/b9-8+
InChIKeyXYRZHYOPSPDGFF-CMDGGOBGSA-N
MW153.23 g/mol
LogP0.45
Rot. Bonds1

About N-methyl-1-prop-1-en-2-ylpiperazin-2-imine

N-methyl-1-prop-1-en-2-ylpiperazin-2-imine (PubChem CID 123565634) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-methyl-1-prop-1-en-2-ylpiperazin-2-imine.

Molecular Properties

Compound NameN-methyl-1-prop-1-en-2-ylpiperazin-2-imine
PubChem CID123565634
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-methyl-1-prop-1-en-2-ylpiperazin-2-imine
SMILESC=C(C)N1CCNC/C1=N\C
InChIInChI=1S/C8H15N3/c1-7(2)11-5-4-10-6-8(11)9-3/h10H,1,4-6H2,2-3H3/b9-8+
InChIKeyXYRZHYOPSPDGFF-CMDGGOBGSA-N
XLogP0.45
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-methyl-1-prop-1-en-2-ylpiperazin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-methyl-1-(2-methylidenepiperazin-1-yl)ethanimine
CID 69173899
2-Prop-1-en-2-yliminopiperazin-1-amine
CID 70226863
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
2-methylidene-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyrazine
CID 91509600
1-Prop-1-en-2-ylpiperazin-2-imine
CID 123148505
N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
CID 123357654
1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
CID 123586617
N-ethenyl-1-piperazin-1-ylethanimine
CID 123747568
N,N-dimethyl-1-(6-methyl-1,4-dihydropyrimidin-2-yl)methanamine
CID 142082996
ethane;N-ethyl-4,6-dimethyl-1,3-dihydropyrazin-2-imine
CID 142345217
N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine
CID 143325168
1-piperazin-1-yl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 143698770

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-prop-1-en-2-ylpiperazin-2-imine?
The IUPAC name of N-methyl-1-prop-1-en-2-ylpiperazin-2-imine (CID 123565634) is N-methyl-1-prop-1-en-2-ylpiperazin-2-imine.
What is the SMILES notation for N-methyl-1-prop-1-en-2-ylpiperazin-2-imine?
The canonical SMILES for N-methyl-1-prop-1-en-2-ylpiperazin-2-imine is C=C(C)N1CCNC/C1=N\C.
What is the InChIKey of N-methyl-1-prop-1-en-2-ylpiperazin-2-imine?
The InChIKey is XYRZHYOPSPDGFF-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)11-5-4-10-6-8(11)9-3/h10H,1,4-6H2,2-3H3/b9-8+.
What are the key properties of N-methyl-1-prop-1-en-2-ylpiperazin-2-imine?
N-methyl-1-prop-1-en-2-ylpiperazin-2-imine has a molecular weight of 153.23 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-prop-1-en-2-ylpiperazin-2-imine is sourced from PubChem (CID 123565634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).