1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine

C12H21N3 — CID 144954746

IUPAC1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine
SMILESC=C/C(=N\C=C(C)C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-5-12(13-10-11(2)3)15-8-6-14(4)7-9-15/h5,10H,1,6-9H2,2-4H3/b13-12+
InChIKeyVSFUMMDPKLFCRS-OUKQBFOZSA-N
MW207.32 g/mol
LogP1.74
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine

1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine (PubChem CID 144954746) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine
PubChem CID144954746
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine
SMILESC=C/C(=N\C=C(C)C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-5-12(13-10-11(2)3)15-8-6-14(4)7-9-15/h5,10H,1,6-9H2,2-4H3/b13-12+
InChIKeyVSFUMMDPKLFCRS-OUKQBFOZSA-N
XLogP1.74
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.74
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'}

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Related Compounds

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
N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine
CID 89192319
1-(4-methylpiperazin-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
CID 90250320
3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine
CID 90725962
N-ethyl-N-methyl-2-(2-methyl-4H-pyrimidin-1-yl)ethanamine
CID 123244902
N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-1-imine
CID 123993985
ethene;1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)ethanimine
CID 142079946
N-ethyl-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine
CID 142390625
2,3-bis(ethenyl)-4H-pyrimidine;ethane
CID 142933427
2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene
CID 142933444
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-4H-pyrimidine
CID 143195775

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine (CID 144954746) is 1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine is C=C/C(=N\C=C(C)C)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine?
The InChIKey is VSFUMMDPKLFCRS-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-12(13-10-11(2)3)15-8-6-14(4)7-9-15/h5,10H,1,6-9H2,2-4H3/b13-12+.
What are the key properties of 1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine?
1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-N-(2-methylprop-1-enyl)prop-2-en-1-imine is sourced from PubChem (CID 144954746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).