5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride

C9H18ClNO2 — CID 3069288

IUPAC5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESCC(C)(C)C12CNCC(CO1)O2.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-8(2,3)9-6-10-4-7(12-9)5-11-9;/h7,10H,4-6H2,1-3H3;1H
InChIKeyQAYKZMPZXTXYNY-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.17
Rot. Bonds

About 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride

5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 3069288) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID3069288
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride
SMILESCC(C)(C)C12CNCC(CO1)O2.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-8(2,3)9-6-10-4-7(12-9)5-11-9;/h7,10H,4-6H2,1-3H3;1H
InChIKeyQAYKZMPZXTXYNY-UHFFFAOYSA-N
XLogP1.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
CID 3069289
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine
CID 21027171
N,N-dimethyl-1-[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanamine
CID 23270872
trimethyl-[[(1R,5R,7R)-5-methyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methyl]azanium
CID 23270873
(1S,5R)-5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
CID 130827028

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride (CID 3069288) is 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride is CC(C)(C)C12CNCC(CO1)O2.Cl.
What is the InChIKey of 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is QAYKZMPZXTXYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-8(2,3)9-6-10-4-7(12-9)5-11-9;/h7,10H,4-6H2,1-3H3;1H.
What are the key properties of 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride?
5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 3069288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).