2,7-diethyl-6,6-dimethyl-1,4-diazepine

C11H18N2 — CID 169251712

IUPAC2,7-diethyl-6,6-dimethyl-1,4-diazepine
SMILESCCC1=CN=CC(C)(C)C(CC)=N1
InChIInChI=1S/C11H18N2/c1-5-9-7-12-8-11(3,4)10(6-2)13-9/h7-8H,5-6H2,1-4H3
InChIKeyVNXUPMWRUYZVJC-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.20
Rot. Bonds2

About 2,7-diethyl-6,6-dimethyl-1,4-diazepine

2,7-diethyl-6,6-dimethyl-1,4-diazepine (PubChem CID 169251712) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,7-diethyl-6,6-dimethyl-1,4-diazepine.

Molecular Properties

Compound Name2,7-diethyl-6,6-dimethyl-1,4-diazepine
PubChem CID169251712
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,7-diethyl-6,6-dimethyl-1,4-diazepine
SMILESCCC1=CN=CC(C)(C)C(CC)=N1
InChIInChI=1S/C11H18N2/c1-5-9-7-12-8-11(3,4)10(6-2)13-9/h7-8H,5-6H2,1-4H3
InChIKeyVNXUPMWRUYZVJC-UHFFFAOYSA-N
XLogP3.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-6,6-dimethyl-1,4-diazepine?
The IUPAC name of 2,7-diethyl-6,6-dimethyl-1,4-diazepine (CID 169251712) is 2,7-diethyl-6,6-dimethyl-1,4-diazepine.
What is the SMILES notation for 2,7-diethyl-6,6-dimethyl-1,4-diazepine?
The canonical SMILES for 2,7-diethyl-6,6-dimethyl-1,4-diazepine is CCC1=CN=CC(C)(C)C(CC)=N1.
What is the InChIKey of 2,7-diethyl-6,6-dimethyl-1,4-diazepine?
The InChIKey is VNXUPMWRUYZVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-9-7-12-8-11(3,4)10(6-2)13-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,7-diethyl-6,6-dimethyl-1,4-diazepine?
2,7-diethyl-6,6-dimethyl-1,4-diazepine has a molecular weight of 178.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-6,6-dimethyl-1,4-diazepine is sourced from PubChem (CID 169251712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).