2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride

C7H16Cl2N2O — CID 57426967

IUPAC2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride
SMILESC1COC2CNCC(C2)N1.Cl.Cl
InChIInChI=1S/C7H14N2O.2ClH/c1-2-10-7-3-6(9-1)4-8-5-7;;/h6-9H,1-5H2;2*1H
InChIKeyLHBYUOOOJXNWES-UHFFFAOYSA-N
MW215.12 g/mol
LogP0.18
Rot. Bonds

About 2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride

2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride (PubChem CID 57426967) has the molecular formula C7H16Cl2N2O and a molecular weight of 215.12 g/mol. Its IUPAC name is 2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride.

Molecular Properties

Compound Name2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride
PubChem CID57426967
Molecular FormulaC7H16Cl2N2O
Molecular Weight215.12 g/mol
Exact Mass214.06
IUPAC Name2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride
SMILESC1COC2CNCC(C2)N1.Cl.Cl
InChIInChI=1S/C7H14N2O.2ClH/c1-2-10-7-3-6(9-1)4-8-5-7;;/h6-9H,1-5H2;2*1H
InChIKeyLHBYUOOOJXNWES-UHFFFAOYSA-N
XLogP0.18
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 141117776
(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride
CID 126969342
(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 22857293
2-oxa-5-azabicyclo[5.1.1]nonane
CID 118209751
2,5,8-triazabicyclo[5.2.1]decane
CID 118210198
2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
CID 54595647
(1S,5R)-6-oxa-2-azabicyclo[3.2.1]octane
CID 176890089
6-oxa-3-azabicyclo[3.2.1]octane
CID 54594726
(2S)-morpholine-2-carbonitrile;hydrochloride
CID 121225951
2-oxa-7-azabicyclo[3.3.2]decane
CID 118209690
(1R,5R)-3,6-diazabicyclo[3.1.1]heptane
CID 98125649
(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 174100018

Frequently Asked Questions

What is the IUPAC name of 2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride?
The IUPAC name of 2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride (CID 57426967) is 2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride.
What is the SMILES notation for 2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride?
The canonical SMILES for 2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride is C1COC2CNCC(C2)N1.Cl.Cl.
What is the InChIKey of 2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride?
The InChIKey is LHBYUOOOJXNWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2ClH/c1-2-10-7-3-6(9-1)4-8-5-7;;/h6-9H,1-5H2;2*1H.
What are the key properties of 2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride?
2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride has a molecular weight of 215.12 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5,8-diazabicyclo[4.3.1]decane;dihydrochloride is sourced from PubChem (CID 57426967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).