1,3-dimethyldiazepine

C7H10N2 — CID 59165049

IUPAC1,3-dimethyldiazepine
SMILESCC1=NN(C)C=CC=C1
InChIInChI=1S/C7H10N2/c1-7-5-3-4-6-9(2)8-7/h3-6H,1-2H3
InChIKeyZCQCZBXHBUEIQQ-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.38
Rot. Bonds

About 1,3-dimethyldiazepine

1,3-dimethyldiazepine (PubChem CID 59165049) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,3-dimethyldiazepine.

Molecular Properties

Compound Name1,3-dimethyldiazepine
PubChem CID59165049
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1,3-dimethyldiazepine
SMILESCC1=NN(C)C=CC=C1
InChIInChI=1S/C7H10N2/c1-7-5-3-4-6-9(2)8-7/h3-6H,1-2H3
InChIKeyZCQCZBXHBUEIQQ-UHFFFAOYSA-N
XLogP1.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyldiazepine?
The IUPAC name of 1,3-dimethyldiazepine (CID 59165049) is 1,3-dimethyldiazepine.
What is the SMILES notation for 1,3-dimethyldiazepine?
The canonical SMILES for 1,3-dimethyldiazepine is CC1=NN(C)C=CC=C1.
What is the InChIKey of 1,3-dimethyldiazepine?
The InChIKey is ZCQCZBXHBUEIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-7-5-3-4-6-9(2)8-7/h3-6H,1-2H3.
What are the key properties of 1,3-dimethyldiazepine?
1,3-dimethyldiazepine has a molecular weight of 122.17 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyldiazepine is sourced from PubChem (CID 59165049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).