5,7-dimethyl-2,3-dihydro-1H-diazepine

C7H12N2 — CID 19798212

IUPAC5,7-dimethyl-2,3-dihydro-1H-diazepine
SMILESCC1=CCNNC(C)=C1
InChIInChI=1S/C7H12N2/c1-6-3-4-8-9-7(2)5-6/h3,5,8-9H,4H2,1-2H3
InChIKeyDATBQXXCOPGORH-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.94
Rot. Bonds

About 5,7-dimethyl-2,3-dihydro-1H-diazepine

5,7-dimethyl-2,3-dihydro-1H-diazepine (PubChem CID 19798212) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5,7-dimethyl-2,3-dihydro-1H-diazepine.

Molecular Properties

Compound Name5,7-dimethyl-2,3-dihydro-1H-diazepine
PubChem CID19798212
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5,7-dimethyl-2,3-dihydro-1H-diazepine
SMILESCC1=CCNNC(C)=C1
InChIInChI=1S/C7H12N2/c1-6-3-4-8-9-7(2)5-6/h3,5,8-9H,4H2,1-2H3
InChIKeyDATBQXXCOPGORH-UHFFFAOYSA-N
XLogP0.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3-dihydro-1H-diazepine?
The IUPAC name of 5,7-dimethyl-2,3-dihydro-1H-diazepine (CID 19798212) is 5,7-dimethyl-2,3-dihydro-1H-diazepine.
What is the SMILES notation for 5,7-dimethyl-2,3-dihydro-1H-diazepine?
The canonical SMILES for 5,7-dimethyl-2,3-dihydro-1H-diazepine is CC1=CCNNC(C)=C1.
What is the InChIKey of 5,7-dimethyl-2,3-dihydro-1H-diazepine?
The InChIKey is DATBQXXCOPGORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-3-4-8-9-7(2)5-6/h3,5,8-9H,4H2,1-2H3.
What are the key properties of 5,7-dimethyl-2,3-dihydro-1H-diazepine?
5,7-dimethyl-2,3-dihydro-1H-diazepine has a molecular weight of 124.19 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3-dihydro-1H-diazepine is sourced from PubChem (CID 19798212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).