6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one

C10H20N2O — CID 83696982

IUPAC6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)N1CCNCC(C)(C)C1=O
InChIInChI=1S/C10H20N2O/c1-8(2)12-6-5-11-7-10(3,4)9(12)13/h8,11H,5-7H2,1-4H3
InChIKeyLKTDUZKXBJPQOC-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds1

About 6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one

6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one (PubChem CID 83696982) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one
PubChem CID83696982
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one
SMILESCC(C)N1CCNCC(C)(C)C1=O
InChIInChI=1S/C10H20N2O/c1-8(2)12-6-5-11-7-10(3,4)9(12)13/h8,11H,5-7H2,1-4H3
InChIKeyLKTDUZKXBJPQOC-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one?
The IUPAC name of 6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one (CID 83696982) is 6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one is CC(C)N1CCNCC(C)(C)C1=O.
What is the InChIKey of 6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one?
The InChIKey is LKTDUZKXBJPQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)12-6-5-11-7-10(3,4)9(12)13/h8,11H,5-7H2,1-4H3.
What are the key properties of 6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one?
6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one has a molecular weight of 184.28 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 83696982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).