1-N,2-N-dimethylpropane-1,2-diimine

C5H10N2 — CID 18685673

IUPAC1-N,2-N-dimethylpropane-1,2-diimine
SMILESC/N=C/C(C)=N/C
InChIInChI=1S/C5H10N2/c1-5(7-3)4-6-2/h4H,1-3H3/b6-4+,7-5+
InChIKeyPTRGIFZVAFOXBV-YDFGWWAZSA-N
MW98.15 g/mol
LogP0.78
Rot. Bonds1

About 1-N,2-N-dimethylpropane-1,2-diimine

1-N,2-N-dimethylpropane-1,2-diimine (PubChem CID 18685673) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 1-N,2-N-dimethylpropane-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-dimethylpropane-1,2-diimine
PubChem CID18685673
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name1-N,2-N-dimethylpropane-1,2-diimine
SMILESC/N=C/C(C)=N/C
InChIInChI=1S/C5H10N2/c1-5(7-3)4-6-2/h4H,1-3H3/b6-4+,7-5+
InChIKeyPTRGIFZVAFOXBV-YDFGWWAZSA-N
XLogP0.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-N,2-N-dimethylpropane-1,2-diimine?
The IUPAC name of 1-N,2-N-dimethylpropane-1,2-diimine (CID 18685673) is 1-N,2-N-dimethylpropane-1,2-diimine.
What is the SMILES notation for 1-N,2-N-dimethylpropane-1,2-diimine?
The canonical SMILES for 1-N,2-N-dimethylpropane-1,2-diimine is C/N=C/C(C)=N/C.
What is the InChIKey of 1-N,2-N-dimethylpropane-1,2-diimine?
The InChIKey is PTRGIFZVAFOXBV-YDFGWWAZSA-N. The full InChI is InChI=1S/C5H10N2/c1-5(7-3)4-6-2/h4H,1-3H3/b6-4+,7-5+.
What are the key properties of 1-N,2-N-dimethylpropane-1,2-diimine?
1-N,2-N-dimethylpropane-1,2-diimine has a molecular weight of 98.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethylpropane-1,2-diimine is sourced from PubChem (CID 18685673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).