N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine

C9H17N3 — CID 166869661

IUPACN-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine
SMILESC=NC(=C)N1CCN(C)C[C@@H]1C
InChIInChI=1S/C9H17N3/c1-8-7-11(4)5-6-12(8)9(2)10-3/h8H,2-3,5-7H2,1,4H3/t8-/m0/s1
InChIKeyCPWLFKKJSHXXNG-QMMMGPOBSA-N
MW167.26 g/mol
LogP0.79
Rot. Bonds2

About N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine

N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine (PubChem CID 166869661) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine
PubChem CID166869661
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine
SMILESC=NC(=C)N1CCN(C)C[C@@H]1C
InChIInChI=1S/C9H17N3/c1-8-7-11(4)5-6-12(8)9(2)10-3/h8H,2-3,5-7H2,1,4H3/t8-/m0/s1
InChIKeyCPWLFKKJSHXXNG-QMMMGPOBSA-N
XLogP0.79
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine?
The IUPAC name of N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine (CID 166869661) is N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine.
What is the SMILES notation for N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine?
The canonical SMILES for N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine is C=NC(=C)N1CCN(C)C[C@@H]1C.
What is the InChIKey of N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine?
The InChIKey is CPWLFKKJSHXXNG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17N3/c1-8-7-11(4)5-6-12(8)9(2)10-3/h8H,2-3,5-7H2,1,4H3/t8-/m0/s1.
What are the key properties of N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine?
N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine has a molecular weight of 167.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2,4-dimethylpiperazin-1-yl]ethenyl]methanimine is sourced from PubChem (CID 166869661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).