N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine

C7H12N2O2 — CID 87550676

IUPACN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine
SMILESCC1(C)OCC(CN=C=N)O1
InChIInChI=1S/C7H12N2O2/c1-7(2)10-4-6(11-7)3-9-5-8/h6,8H,3-4H2,1-2H3
InChIKeyJFWYBMBFRUQYPX-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine

N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine (PubChem CID 87550676) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine.

Molecular Properties

Compound NameN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine
PubChem CID87550676
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC NameN'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine
SMILESCC1(C)OCC(CN=C=N)O1
InChIInChI=1S/C7H12N2O2/c1-7(2)10-4-6(11-7)3-9-5-8/h6,8H,3-4H2,1-2H3
InChIKeyJFWYBMBFRUQYPX-UHFFFAOYSA-N
XLogP0.89
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine 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'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine?
The IUPAC name of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine (CID 87550676) is N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine.
What is the SMILES notation for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine?
The canonical SMILES for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine is CC1(C)OCC(CN=C=N)O1.
What is the InChIKey of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine?
The InChIKey is JFWYBMBFRUQYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-7(2)10-4-6(11-7)3-9-5-8/h6,8H,3-4H2,1-2H3.
What are the key properties of N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine?
N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine is sourced from PubChem (CID 87550676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).