N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine

C8H15N3 — CID 126687721

IUPACN-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine
SMILESC/C=N/C=C1/CN(C)CCN1
InChIInChI=1S/C8H15N3/c1-3-9-6-8-7-11(2)5-4-10-8/h3,6,10H,4-5,7H2,1-2H3/b8-6-,9-3+
InChIKeyVOWFZPYENRLXLV-FTYJLKAESA-N
MW153.23 g/mol
LogP0.45
Rot. Bonds1

About N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine

N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine (PubChem CID 126687721) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine
PubChem CID126687721
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine
SMILESC/C=N/C=C1/CN(C)CCN1
InChIInChI=1S/C8H15N3/c1-3-9-6-8-7-11(2)5-4-10-8/h3,6,10H,4-5,7H2,1-2H3/b8-6-,9-3+
InChIKeyVOWFZPYENRLXLV-FTYJLKAESA-N
XLogP0.45
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine?
The IUPAC name of N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine (CID 126687721) is N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine.
What is the SMILES notation for N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine?
The canonical SMILES for N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine is C/C=N/C=C1/CN(C)CCN1.
What is the InChIKey of N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine?
The InChIKey is VOWFZPYENRLXLV-FTYJLKAESA-N. The full InChI is InChI=1S/C8H15N3/c1-3-9-6-8-7-11(2)5-4-10-8/h3,6,10H,4-5,7H2,1-2H3/b8-6-,9-3+.
What are the key properties of N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine?
N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine has a molecular weight of 153.23 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine is sourced from PubChem (CID 126687721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).