5,5-dimethyl-1,3-diazepine

C7H10N2 — CID 89049693

IUPAC5,5-dimethyl-1,3-diazepine
SMILESCC1(C)C=CN=CN=C1
InChIInChI=1S/C7H10N2/c1-7(2)3-4-8-6-9-5-7/h3-6H,1-2H3
InChIKeyZZKPKKZEFXCHES-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.64
Rot. Bonds

About 5,5-dimethyl-1,3-diazepine

5,5-dimethyl-1,3-diazepine (PubChem CID 89049693) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5,5-dimethyl-1,3-diazepine.

Molecular Properties

Compound Name5,5-dimethyl-1,3-diazepine
PubChem CID89049693
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5,5-dimethyl-1,3-diazepine
SMILESCC1(C)C=CN=CN=C1
InChIInChI=1S/C7H10N2/c1-7(2)3-4-8-6-9-5-7/h3-6H,1-2H3
InChIKeyZZKPKKZEFXCHES-UHFFFAOYSA-N
XLogP1.64
TPSA24.72 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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,3-diazepine?
The IUPAC name of 5,5-dimethyl-1,3-diazepine (CID 89049693) is 5,5-dimethyl-1,3-diazepine.
What is the SMILES notation for 5,5-dimethyl-1,3-diazepine?
The canonical SMILES for 5,5-dimethyl-1,3-diazepine is CC1(C)C=CN=CN=C1.
What is the InChIKey of 5,5-dimethyl-1,3-diazepine?
The InChIKey is ZZKPKKZEFXCHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-7(2)3-4-8-6-9-5-7/h3-6H,1-2H3.
What are the key properties of 5,5-dimethyl-1,3-diazepine?
5,5-dimethyl-1,3-diazepine has a molecular weight of 122.17 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3-diazepine is sourced from PubChem (CID 89049693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).