N-ethenyl-1-piperazin-1-ylpropan-1-imine

C9H17N3 — CID 123885929

IUPACN-ethenyl-1-piperazin-1-ylpropan-1-imine
SMILESC=C/N=C(\CC)N1CCNCC1
InChIInChI=1S/C9H17N3/c1-3-9(11-4-2)12-7-5-10-6-8-12/h4,10H,2-3,5-8H2,1H3/b11-9+
InChIKeyAXJWARALJBOPMP-PKNBQFBNSA-N
MW167.26 g/mol
LogP0.84
Rot. Bonds2

About N-ethenyl-1-piperazin-1-ylpropan-1-imine

N-ethenyl-1-piperazin-1-ylpropan-1-imine (PubChem CID 123885929) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-ethenyl-1-piperazin-1-ylpropan-1-imine.

Molecular Properties

Compound NameN-ethenyl-1-piperazin-1-ylpropan-1-imine
PubChem CID123885929
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-ethenyl-1-piperazin-1-ylpropan-1-imine
SMILESC=C/N=C(\CC)N1CCNCC1
InChIInChI=1S/C9H17N3/c1-3-9(11-4-2)12-7-5-10-6-8-12/h4,10H,2-3,5-8H2,1H3/b11-9+
InChIKeyAXJWARALJBOPMP-PKNBQFBNSA-N
XLogP0.84
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.84
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

(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(Z)-2-(1-piperazin-1-ylprop-2-enylideneamino)ethenamine
CID 69914758
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide
CID 118970815
N-ethenyl-N'-methyl-2-(propylamino)propanimidamide
CID 123518067
1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
CID 123586617
N-ethenyl-1-piperazin-1-ylethanimine
CID 123747568
N-ethenyl-1-methylpiperazin-2-imine
CID 134309172
ethane;N'-ethenyl-N-methylidene-2-piperazin-1-ylethanimidamide
CID 142443940
N-[(Z)-but-1-en-3-ynyl]-1-piperazin-1-ylethanimine
CID 143225976
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

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-piperazin-1-ylpropan-1-imine?
The IUPAC name of N-ethenyl-1-piperazin-1-ylpropan-1-imine (CID 123885929) is N-ethenyl-1-piperazin-1-ylpropan-1-imine.
What is the SMILES notation for N-ethenyl-1-piperazin-1-ylpropan-1-imine?
The canonical SMILES for N-ethenyl-1-piperazin-1-ylpropan-1-imine is C=C/N=C(\CC)N1CCNCC1.
What is the InChIKey of N-ethenyl-1-piperazin-1-ylpropan-1-imine?
The InChIKey is AXJWARALJBOPMP-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-9(11-4-2)12-7-5-10-6-8-12/h4,10H,2-3,5-8H2,1H3/b11-9+.
What are the key properties of N-ethenyl-1-piperazin-1-ylpropan-1-imine?
N-ethenyl-1-piperazin-1-ylpropan-1-imine has a molecular weight of 167.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-piperazin-1-ylpropan-1-imine is sourced from PubChem (CID 123885929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).