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

C10H17N3 — CID 143804982

IUPACN-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine
SMILESC=C/N=C(\C(=C)C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-4-12-10(9(2)3)13-7-5-11-6-8-13/h4,11H,1-2,5-8H2,3H3/b12-10+
InChIKeyXINGDADAXLDWOU-ZRDIBKRKSA-N
MW179.27 g/mol
LogP1.01
Rot. Bonds2

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

N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine (PubChem CID 143804982) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine
PubChem CID143804982
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine
SMILESC=C/N=C(\C(=C)C)N1CCNCC1
InChIInChI=1S/C10H17N3/c1-4-12-10(9(2)3)13-7-5-11-6-8-13/h4,11H,1-2,5-8H2,3H3/b12-10+
InChIKeyXINGDADAXLDWOU-ZRDIBKRKSA-N
XLogP1.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.01
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-Piperazin-1-yl-3-(trifluoromethyl)-1-azacyclohepta-1,3,4,6-tetraene
CID 142160715
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
CID 123357654
1-(3-methylpiperazin-1-yl)-N-prop-1-enylpropan-1-imine
CID 123586617
N-ethenyl-1-piperazin-1-ylpropan-1-imine
CID 123885929
1-piperazin-1-yl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 143698770
3-Methylimino-3-piperazin-1-ylprop-1-en-1-amine
CID 173491318

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine?
The IUPAC name of N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine (CID 143804982) is N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine.
What is the SMILES notation for N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine?
The canonical SMILES for N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine is C=C/N=C(\C(=C)C)N1CCNCC1.
What is the InChIKey of N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine?
The InChIKey is XINGDADAXLDWOU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-12-10(9(2)3)13-7-5-11-6-8-13/h4,11H,1-2,5-8H2,3H3/b12-10+.
What are the key properties of N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine?
N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine has a molecular weight of 179.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methyl-1-piperazin-1-ylprop-2-en-1-imine is sourced from PubChem (CID 143804982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).