2,6-dimethyl-5H-1,3-diazepine

C7H10N2 — CID 138718213

IUPAC2,6-dimethyl-5H-1,3-diazepine
SMILESCC1=CN=C(C)N=CC1
InChIInChI=1S/C7H10N2/c1-6-3-4-8-7(2)9-5-6/h4-5H,3H2,1-2H3
InChIKeyRPLGGFRHNPBEOY-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.78
Rot. Bonds

About 2,6-dimethyl-5H-1,3-diazepine

2,6-dimethyl-5H-1,3-diazepine (PubChem CID 138718213) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,6-dimethyl-5H-1,3-diazepine.

Molecular Properties

Compound Name2,6-dimethyl-5H-1,3-diazepine
PubChem CID138718213
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,6-dimethyl-5H-1,3-diazepine
SMILESCC1=CN=C(C)N=CC1
InChIInChI=1S/C7H10N2/c1-6-3-4-8-7(2)9-5-6/h4-5H,3H2,1-2H3
InChIKeyRPLGGFRHNPBEOY-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5H-1,3-diazepine?
The IUPAC name of 2,6-dimethyl-5H-1,3-diazepine (CID 138718213) is 2,6-dimethyl-5H-1,3-diazepine.
What is the SMILES notation for 2,6-dimethyl-5H-1,3-diazepine?
The canonical SMILES for 2,6-dimethyl-5H-1,3-diazepine is CC1=CN=C(C)N=CC1.
What is the InChIKey of 2,6-dimethyl-5H-1,3-diazepine?
The InChIKey is RPLGGFRHNPBEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-4-8-7(2)9-5-6/h4-5H,3H2,1-2H3.
What are the key properties of 2,6-dimethyl-5H-1,3-diazepine?
2,6-dimethyl-5H-1,3-diazepine has a molecular weight of 122.17 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5H-1,3-diazepine is sourced from PubChem (CID 138718213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).