2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride

C10H20ClNO2 — CID 138987613

IUPAC2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride
SMILESCOC1CCC2NC1CCC2OC.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-12-9-5-3-8-10(13-2)6-4-7(9)11-8;/h7-11H,3-6H2,1-2H3;1H
InChIKeyIHVGJJYNMNRRLD-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.35
Rot. Bonds2

About 2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride

2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride (PubChem CID 138987613) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride.

Molecular Properties

Compound Name2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride
PubChem CID138987613
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride
SMILESCOC1CCC2NC1CCC2OC.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-12-9-5-3-8-10(13-2)6-4-7(9)11-8;/h7-11H,3-6H2,1-2H3;1H
InChIKeyIHVGJJYNMNRRLD-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R,5R,6R)-6-acetyloxy-9-azabicyclo[3.3.1]nonan-2-yl] acetate;hydrochloride
CID 139016634
33,34,35,36,37,38,39,40-octazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetracontane
CID 90995297
trans-(1R,2R)-2-methoxy-N-methylcyclobutan-1-amine;hydrochloride
CID 155973487
1-fluoro-2-methoxycyclobutane
CID 166727939
[(2S)-2-methoxycyclobutyl]azanium
CID 162453896
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane
CID 166889412
1,2-dimethoxy-3-methylcyclopentane
CID 57086988
10-azatricyclo[5.2.1.02,6]decane
CID 130391694
1,2,4-trimethoxycyclohexane
CID 547386
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
(3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 171921114

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride?
The IUPAC name of 2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride (CID 138987613) is 2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride.
What is the SMILES notation for 2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride?
The canonical SMILES for 2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride is COC1CCC2NC1CCC2OC.Cl.
What is the InChIKey of 2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride?
The InChIKey is IHVGJJYNMNRRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-12-9-5-3-8-10(13-2)6-4-7(9)11-8;/h7-11H,3-6H2,1-2H3;1H.
What are the key properties of 2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride?
2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride is sourced from PubChem (CID 138987613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).