N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine

C10H19N3 — CID 123357654

IUPACN-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
SMILESCC(C)=C/N=C(\C)N1CCNCC1
InChIInChI=1S/C10H19N3/c1-9(2)8-12-10(3)13-6-4-11-5-7-13/h8,11H,4-7H2,1-3H3/b12-10+
InChIKeyQKFMJDCTADAGMS-ZRDIBKRKSA-N
MW181.28 g/mol
LogP1.23
Rot. Bonds1

About N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine

N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine (PubChem CID 123357654) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
PubChem CID123357654
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
SMILESCC(C)=C/N=C(\C)N1CCNCC1
InChIInChI=1S/C10H19N3/c1-9(2)8-12-10(3)13-6-4-11-5-7-13/h8,11H,4-7H2,1-3H3/b12-10+
InChIKeyQKFMJDCTADAGMS-ZRDIBKRKSA-N
XLogP1.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine 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

N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
CID 142349174
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine
CID 123148170
N-methyl-1-prop-1-en-2-ylpiperazin-2-imine
CID 123565634
ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine
CID 142079946
ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
CID 142349173
1-piperazin-1-yl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 143698770
N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine
CID 143804982
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine;ethane
CID 144038774
ethane;1-ethenyl-N-methylpiperazin-2-imine
CID 145392859
(2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine
CID 163982230

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine?
The IUPAC name of N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine (CID 123357654) is N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine.
What is the SMILES notation for N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine?
The canonical SMILES for N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine is CC(C)=C/N=C(\C)N1CCNCC1.
What is the InChIKey of N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine?
The InChIKey is QKFMJDCTADAGMS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)8-12-10(3)13-6-4-11-5-7-13/h8,11H,4-7H2,1-3H3/b12-10+.
What are the key properties of N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine?
N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine has a molecular weight of 181.28 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine is sourced from PubChem (CID 123357654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).