6,7-diethyl-4-methyl-4H-diazepine

C10H16N2 — CID 89204115

IUPAC6,7-diethyl-4-methyl-4H-diazepine
SMILESCCC1=CC(C)C=NN=C1CC
InChIInChI=1S/C10H16N2/c1-4-9-6-8(3)7-11-12-10(9)5-2/h6-8H,4-5H2,1-3H3
InChIKeyDYOOXKXBEVNNGC-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.81
Rot. Bonds2

About 6,7-diethyl-4-methyl-4H-diazepine

6,7-diethyl-4-methyl-4H-diazepine (PubChem CID 89204115) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 6,7-diethyl-4-methyl-4H-diazepine.

Molecular Properties

Compound Name6,7-diethyl-4-methyl-4H-diazepine
PubChem CID89204115
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name6,7-diethyl-4-methyl-4H-diazepine
SMILESCCC1=CC(C)C=NN=C1CC
InChIInChI=1S/C10H16N2/c1-4-9-6-8(3)7-11-12-10(9)5-2/h6-8H,4-5H2,1-3H3
InChIKeyDYOOXKXBEVNNGC-UHFFFAOYSA-N
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethyl-4-methyl-4H-diazepine?
The IUPAC name of 6,7-diethyl-4-methyl-4H-diazepine (CID 89204115) is 6,7-diethyl-4-methyl-4H-diazepine.
What is the SMILES notation for 6,7-diethyl-4-methyl-4H-diazepine?
The canonical SMILES for 6,7-diethyl-4-methyl-4H-diazepine is CCC1=CC(C)C=NN=C1CC.
What is the InChIKey of 6,7-diethyl-4-methyl-4H-diazepine?
The InChIKey is DYOOXKXBEVNNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9-6-8(3)7-11-12-10(9)5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 6,7-diethyl-4-methyl-4H-diazepine?
6,7-diethyl-4-methyl-4H-diazepine has a molecular weight of 164.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyl-4-methyl-4H-diazepine is sourced from PubChem (CID 89204115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).