N-methyl-1-piperazin-1-ylprop-2-en-1-imine

C8H15N3 — CID 123212426

IUPACN-methyl-1-piperazin-1-ylprop-2-en-1-imine
SMILESC=C/C(=N\C)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-3-8(9-2)11-6-4-10-5-7-11/h3,10H,1,4-7H2,2H3/b9-8+
InChIKeyHRFZHFFCCVIUIE-CMDGGOBGSA-N
MW153.23 g/mol
LogP0.11
Rot. Bonds1

About N-methyl-1-piperazin-1-ylprop-2-en-1-imine

N-methyl-1-piperazin-1-ylprop-2-en-1-imine (PubChem CID 123212426) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-methyl-1-piperazin-1-ylprop-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-1-piperazin-1-ylprop-2-en-1-imine
PubChem CID123212426
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-methyl-1-piperazin-1-ylprop-2-en-1-imine
SMILESC=C/C(=N\C)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-3-8(9-2)11-6-4-10-5-7-11/h3,10H,1,4-7H2,2H3/b9-8+
InChIKeyHRFZHFFCCVIUIE-CMDGGOBGSA-N
XLogP0.11
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 ≤ 50.11
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-Vinyl-2-imidazoline
CID 82736
2-fluoro-N-methyl-1-piperazin-1-ylbut-2-en-1-imine
CID 123530717
(E)-N-(1-fluoroethenyl)-1-piperazin-1-ylprop-2-en-1-imine
CID 144288809
2-ethenyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 20189699
N-[2-(2-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-en-1-amine
CID 67176356
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(Z)-2-(1-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 69914758
1-Piperazin-1-ylprop-2-en-1-imine
CID 69931693
1-Prop-2-enylpiperazin-2-imine
CID 69931695
(Z)-N-ethenyl-3-iodo-1-piperazin-1-ylprop-2-en-1-imine
CID 121257398
N-ethyl-N'-methylprop-2-enimidamide
CID 123893292
4-piperazin-1-yl-2H-pyrimidine-1-carbonitrile
CID 140186817

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperazin-1-ylprop-2-en-1-imine?
The IUPAC name of N-methyl-1-piperazin-1-ylprop-2-en-1-imine (CID 123212426) is N-methyl-1-piperazin-1-ylprop-2-en-1-imine.
What is the SMILES notation for N-methyl-1-piperazin-1-ylprop-2-en-1-imine?
The canonical SMILES for N-methyl-1-piperazin-1-ylprop-2-en-1-imine is C=C/C(=N\C)N1CCNCC1.
What is the InChIKey of N-methyl-1-piperazin-1-ylprop-2-en-1-imine?
The InChIKey is HRFZHFFCCVIUIE-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-8(9-2)11-6-4-10-5-7-11/h3,10H,1,4-7H2,2H3/b9-8+.
What are the key properties of N-methyl-1-piperazin-1-ylprop-2-en-1-imine?
N-methyl-1-piperazin-1-ylprop-2-en-1-imine has a molecular weight of 153.23 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperazin-1-ylprop-2-en-1-imine is sourced from PubChem (CID 123212426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).