ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine

C13H25N3 — CID 142079946

IUPACethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine
SMILESC=C.CC(C)=C/N=C(\C)N1CCN(C)CC1
InChIInChI=1S/C11H21N3.C2H4/c1-10(2)9-12-11(3)14-7-5-13(4)6-8-14;1-2/h9H,5-8H2,1-4H3;1-2H2/b12-11+;
InChIKeyNGGMZYYTLRGHCR-CALJPSDSSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds1

About ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine

ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine (PubChem CID 142079946) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine.

Molecular Properties

Compound Nameethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine
PubChem CID142079946
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Nameethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine
SMILESC=C.CC(C)=C/N=C(\C)N1CCN(C)CC1
InChIInChI=1S/C11H21N3.C2H4/c1-10(2)9-12-11(3)14-7-5-13(4)6-8-14;1-2/h9H,5-8H2,1-4H3;1-2H2/b12-11+;
InChIKeyNGGMZYYTLRGHCR-CALJPSDSSA-N
XLogP2.38
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4-methyl-3H-pyrrol-2-yl)piperazine
CID 60002151
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 70293948
N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)ethanimine
CID 89117774
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
CID 90250320
N-ethyl-N-methyl-2-(2-methyl-4H-pyrimidin-1-yl)ethanamine
CID 123244902
N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
CID 123357654
N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
CID 123993985
N-ethenyl-1-methyl-4-propan-2-ylpiperazin-2-imine
CID 130347840
4-tert-butyl-1-ethenyl-N-methylpiperazin-2-imine
CID 130368555
ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 142022936
2,5-dimethyl-3-propyl-4H-pyrimidine
CID 142076733
N-[(1Z)-buta-1,3-dienyl]-1-(4-methylpiperazin-1-yl)propan-1-imine
CID 142129029

Frequently Asked Questions

What is the IUPAC name of ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine?
The IUPAC name of ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine (CID 142079946) is ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine.
What is the SMILES notation for ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine?
The canonical SMILES for ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine is C=C.CC(C)=C/N=C(\C)N1CCN(C)CC1.
What is the InChIKey of ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine?
The InChIKey is NGGMZYYTLRGHCR-CALJPSDSSA-N. The full InChI is InChI=1S/C11H21N3.C2H4/c1-10(2)9-12-11(3)14-7-5-13(4)6-8-14;1-2/h9H,5-8H2,1-4H3;1-2H2/b12-11+;.
What are the key properties of ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine?
ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine is sourced from PubChem (CID 142079946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).