2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one

C13H26N2O — CID 69406107

IUPAC2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one
SMILESCCC1(C)CC(=O)NC(C)C(C)(CC)N1C
InChIInChI=1S/C13H26N2O/c1-7-12(4)9-11(16)14-10(3)13(5,8-2)15(12)6/h10H,7-9H2,1-6H3,(H,14,16)
InChIKeyNVEPROXUPKYYQU-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.16
Rot. Bonds2

About 2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one

2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one (PubChem CID 69406107) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one
PubChem CID69406107
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one
SMILESCCC1(C)CC(=O)NC(C)C(C)(CC)N1C
InChIInChI=1S/C13H26N2O/c1-7-12(4)9-11(16)14-10(3)13(5,8-2)15(12)6/h10H,7-9H2,1-6H3,(H,14,16)
InChIKeyNVEPROXUPKYYQU-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one?
The IUPAC name of 2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one (CID 69406107) is 2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one.
What is the SMILES notation for 2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one?
The canonical SMILES for 2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one is CCC1(C)CC(=O)NC(C)C(C)(CC)N1C.
What is the InChIKey of 2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one?
The InChIKey is NVEPROXUPKYYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-7-12(4)9-11(16)14-10(3)13(5,8-2)15(12)6/h10H,7-9H2,1-6H3,(H,14,16).
What are the key properties of 2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one?
2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one has a molecular weight of 226.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-1,2,3,7-tetramethyl-1,4-diazepan-5-one is sourced from PubChem (CID 69406107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).