2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine

C14H28N2O2 — CID 118185042

IUPAC2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine
SMILESCCC/N=C/C(C)(C)OOC(C)(C)/C=N/CCC
InChIInChI=1S/C14H28N2O2/c1-7-9-15-11-13(3,4)17-18-14(5,6)12-16-10-8-2/h11-12H,7-10H2,1-6H3/b15-11+,16-12+
InChIKeyCEQJHIRGLFFLAQ-JOBJLJCHSA-N
MW256.39 g/mol
LogP3.45
Rot. Bonds9

About 2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine

2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine (PubChem CID 118185042) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine
PubChem CID118185042
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine
SMILESCCC/N=C/C(C)(C)OOC(C)(C)/C=N/CCC
InChIInChI=1S/C14H28N2O2/c1-7-9-15-11-13(3,4)17-18-14(5,6)12-16-10-8-2/h11-12H,7-10H2,1-6H3/b15-11+,16-12+
InChIKeyCEQJHIRGLFFLAQ-JOBJLJCHSA-N
XLogP3.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine 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 2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine?
The IUPAC name of 2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine (CID 118185042) is 2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine.
What is the SMILES notation for 2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine?
The canonical SMILES for 2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine is CCC/N=C/C(C)(C)OOC(C)(C)/C=N/CCC.
What is the InChIKey of 2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine?
The InChIKey is CEQJHIRGLFFLAQ-JOBJLJCHSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-9-15-11-13(3,4)17-18-14(5,6)12-16-10-8-2/h11-12H,7-10H2,1-6H3/b15-11+,16-12+.
What are the key properties of 2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine?
2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine has a molecular weight of 256.39 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-1-propyliminopropan-2-yl)peroxy-N-propylpropan-1-imine is sourced from PubChem (CID 118185042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).