N-ethenyl-1-piperazin-1-ylethanimine

C8H15N3 — CID 123747568

IUPACN-ethenyl-1-piperazin-1-ylethanimine
SMILESC=C/N=C(\C)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-3-10-8(2)11-6-4-9-5-7-11/h3,9H,1,4-7H2,2H3/b10-8+
InChIKeyOTLAGRZEQKMOJK-CSKARUKUSA-N
MW153.23 g/mol
LogP0.45
Rot. Bonds1

About N-ethenyl-1-piperazin-1-ylethanimine

N-ethenyl-1-piperazin-1-ylethanimine (PubChem CID 123747568) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-ethenyl-1-piperazin-1-ylethanimine.

Molecular Properties

Compound NameN-ethenyl-1-piperazin-1-ylethanimine
PubChem CID123747568
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-ethenyl-1-piperazin-1-ylethanimine
SMILESC=C/N=C(\C)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-3-10-8(2)11-6-4-9-5-7-11/h3,9H,1,4-7H2,2H3/b10-8+
InChIKeyOTLAGRZEQKMOJK-CSKARUKUSA-N
XLogP0.45
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 ≤ 50.45
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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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-piperazin-1-ylethanimine?
The IUPAC name of N-ethenyl-1-piperazin-1-ylethanimine (CID 123747568) is N-ethenyl-1-piperazin-1-ylethanimine.
What is the SMILES notation for N-ethenyl-1-piperazin-1-ylethanimine?
The canonical SMILES for N-ethenyl-1-piperazin-1-ylethanimine is C=C/N=C(\C)N1CCNCC1.
What is the InChIKey of N-ethenyl-1-piperazin-1-ylethanimine?
The InChIKey is OTLAGRZEQKMOJK-CSKARUKUSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-10-8(2)11-6-4-9-5-7-11/h3,9H,1,4-7H2,2H3/b10-8+.
What are the key properties of N-ethenyl-1-piperazin-1-ylethanimine?
N-ethenyl-1-piperazin-1-ylethanimine has a molecular weight of 153.23 g/mol, XLogP of 0.45, 1 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-ylethanimine is sourced from PubChem (CID 123747568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).