6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane

C11H22N2O — CID 115100745

IUPAC6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane
SMILESCC1(C)CNCCN(C2CCCO2)C1
InChIInChI=1S/C11H22N2O/c1-11(2)8-12-5-6-13(9-11)10-4-3-7-14-10/h10,12H,3-9H2,1-2H3
InChIKeyFLFFDGKCGHIZSP-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.05
Rot. Bonds1

About 6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane

6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane (PubChem CID 115100745) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane
PubChem CID115100745
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane
SMILESCC1(C)CNCCN(C2CCCO2)C1
InChIInChI=1S/C11H22N2O/c1-11(2)8-12-5-6-13(9-11)10-4-3-7-14-10/h10,12H,3-9H2,1-2H3
InChIKeyFLFFDGKCGHIZSP-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane?
The IUPAC name of 6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane (CID 115100745) is 6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane.
What is the SMILES notation for 6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane?
The canonical SMILES for 6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane is CC1(C)CNCCN(C2CCCO2)C1.
What is the InChIKey of 6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane?
The InChIKey is FLFFDGKCGHIZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)8-12-5-6-13(9-11)10-4-3-7-14-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane?
6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane has a molecular weight of 198.31 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(oxolan-2-yl)-1,4-diazepane is sourced from PubChem (CID 115100745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).