1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane

C16H32N2O — CID 83039236

IUPAC1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane
SMILESCCC1(CC)CC(N2CCCNC(C)(C)C2)CCO1
InChIInChI=1S/C16H32N2O/c1-5-16(6-2)12-14(8-11-19-16)18-10-7-9-17-15(3,4)13-18/h14,17H,5-13H2,1-4H3
InChIKeyAVVLXCJXULZEIT-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds3

About 1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane

1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane (PubChem CID 83039236) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane
PubChem CID83039236
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane
SMILESCCC1(CC)CC(N2CCCNC(C)(C)C2)CCO1
InChIInChI=1S/C16H32N2O/c1-5-16(6-2)12-14(8-11-19-16)18-10-7-9-17-15(3,4)13-18/h14,17H,5-13H2,1-4H3
InChIKeyAVVLXCJXULZEIT-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane
CID 83039643
1-cycloheptyl-3,3-dimethyl-1,4-diazepane
CID 64944315
N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine
CID 83039229
11-(2,2-dimethyloxan-4-yl)-7,11-diazaspiro[5.6]dodecane
CID 83039971
[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol
CID 83040396
1-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)-1,4-diazepane
CID 103372116
1-(2,2-diethyloxan-4-yl)piperazin-2-one
CID 83040073
3-(3,3-dimethyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64951788
3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane
CID 64944448
1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
CID 83039447
4-(2,2-dimethyloxan-4-yl)-1,4-diazaspiro[5.5]undecane
CID 83038956
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
CID 83040533

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane?
The IUPAC name of 1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane (CID 83039236) is 1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane.
What is the SMILES notation for 1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane?
The canonical SMILES for 1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane is CCC1(CC)CC(N2CCCNC(C)(C)C2)CCO1.
What is the InChIKey of 1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane?
The InChIKey is AVVLXCJXULZEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-16(6-2)12-14(8-11-19-16)18-10-7-9-17-15(3,4)13-18/h14,17H,5-13H2,1-4H3.
What are the key properties of 1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane?
1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane has a molecular weight of 268.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane is sourced from PubChem (CID 83039236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).