1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine

C11H21N3 — CID 123586617

IUPAC1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
SMILESCC=C/N=C(\CC)N1CCNC(C)C1
InChIInChI=1S/C11H21N3/c1-4-6-13-11(5-2)14-8-7-12-10(3)9-14/h4,6,10,12H,5,7-9H2,1-3H3/b6-4?,13-11+
InChIKeyDFDIMZRKHZYPBI-OHLPOSCTSA-N
MW195.31 g/mol
LogP1.62
Rot. Bonds2

About 1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine

1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine (PubChem CID 123586617) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine.

Molecular Properties

Compound Name1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
PubChem CID123586617
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
SMILESCC=C/N=C(\CC)N1CCNC(C)C1
InChIInChI=1S/C11H21N3/c1-4-6-13-11(5-2)14-8-7-12-10(3)9-14/h4,6,10,12H,5,7-9H2,1-3H3/b6-4?,13-11+
InChIKeyDFDIMZRKHZYPBI-OHLPOSCTSA-N
XLogP1.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.62
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'}

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methylpropyl)-4-prop-2-enylpiperazine
CID 10682143
2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine
CID 10799723
1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine
CID 58142763
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
N-[1-(1-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]prop-2-en-1-amine
CID 68425661
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
(E)-N-[1-amino-3-(3,5-dimethylpiperazin-1-yl)-3-iminopropylidene]-N'-methylbut-2-enimidamide
CID 123214432
N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine
CID 123441248
N-ethenyl-N'-methyl-2-(propylamino)propanimidamide
CID 123518067
N-methyl-1-prop-1-en-2-ylpiperazin-2-imine
CID 123565634
N-ethenyl-1-piperazin-1-ylpropan-1-imine
CID 123885929
N'-butan-2-yl-N-[(Z)-prop-1-enyl]propanimidamide
CID 123942636

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine?
The IUPAC name of 1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine (CID 123586617) is 1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine.
What is the SMILES notation for 1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine?
The canonical SMILES for 1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine is CC=C/N=C(\CC)N1CCNC(C)C1.
What is the InChIKey of 1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine?
The InChIKey is DFDIMZRKHZYPBI-OHLPOSCTSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-6-13-11(5-2)14-8-7-12-10(3)9-14/h4,6,10,12H,5,7-9H2,1-3H3/b6-4?,13-11+.
What are the key properties of 1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine?
1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine has a molecular weight of 195.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine is sourced from PubChem (CID 123586617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).