N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine

C10H19N3 — CID 166870791

IUPACN-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine
SMILESC=NC(=C)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C10H19N3/c1-9(11-4)13-7-6-12(5)10(2,3)8-13/h1,4,6-8H2,2-3,5H3
InChIKeyYVHQRHHRQRGQRF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.18
Rot. Bonds2

About N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine

N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine (PubChem CID 166870791) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine
PubChem CID166870791
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine
SMILESC=NC(=C)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C10H19N3/c1-9(11-4)13-7-6-12(5)10(2,3)8-13/h1,4,6-8H2,2-3,5H3
InChIKeyYVHQRHHRQRGQRF-UHFFFAOYSA-N
XLogP1.18
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(3,3,4-trimethylpiperazin-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-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine?
The IUPAC name of N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine (CID 166870791) is N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine.
What is the SMILES notation for N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine?
The canonical SMILES for N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine is C=NC(=C)N1CCN(C)C(C)(C)C1.
What is the InChIKey of N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine?
The InChIKey is YVHQRHHRQRGQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(11-4)13-7-6-12(5)10(2,3)8-13/h1,4,6-8H2,2-3,5H3.
What are the key properties of N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine?
N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine has a molecular weight of 181.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3,4-trimethylpiperazin-1-yl)ethenyl]methanimine is sourced from PubChem (CID 166870791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).