1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane

C11H22N2O — CID 131034515

IUPAC1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane
SMILESCC1(C)CC(N2CCCNCC2)CO1
InChIInChI=1S/C11H22N2O/c1-11(2)8-10(9-14-11)13-6-3-4-12-5-7-13/h10,12H,3-9H2,1-2H3
InChIKeyKMWSSUJYFNBXTC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds1

About 1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane

1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane (PubChem CID 131034515) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane
PubChem CID131034515
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane
SMILESCC1(C)CC(N2CCCNCC2)CO1
InChIInChI=1S/C11H22N2O/c1-11(2)8-10(9-14-11)13-6-3-4-12-5-7-13/h10,12H,3-9H2,1-2H3
InChIKeyKMWSSUJYFNBXTC-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968297
1-(5-oxaspiro[3.5]nonan-8-yl)-1,4-diazepane
CID 79905033
1-piperidin-4-yl-1,4-diazepane
CID 53414008
1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine
CID 83670813
1-(thietan-3-yl)-1,4-diazepane
CID 83874149
(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane
CID 167264877
1-(3-methylcyclopentyl)-1,4-diazepane
CID 64516428
1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 17088050
3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane;trihydrochloride
CID 70298410
1-(4-oxaspiro[2.5]octan-7-yl)piperazine
CID 82399396
1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane
CID 83039607
1-cyclopentylpiperazine;ethane
CID 143559542

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane?
The IUPAC name of 1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane (CID 131034515) is 1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane.
What is the SMILES notation for 1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane?
The canonical SMILES for 1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane is CC1(C)CC(N2CCCNCC2)CO1.
What is the InChIKey of 1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane?
The InChIKey is KMWSSUJYFNBXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)8-10(9-14-11)13-6-3-4-12-5-7-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane?
1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane has a molecular weight of 198.31 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane is sourced from PubChem (CID 131034515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).