(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride

C8H16ClNO — CID 75530875

IUPAC(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCOC1C[C@H]2CC[C@@H](C1)N2.Cl
InChIInChI=1S/C8H15NO.ClH/c1-10-8-4-6-2-3-7(5-8)9-6;/h6-9H,2-5H2,1H3;1H/t6-,7+,8?;
InChIKeyTUQKVSDUCJVCOI-PAFGHYSMSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds1

About (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride

(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 75530875) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID75530875
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCOC1C[C@H]2CC[C@@H](C1)N2.Cl
InChIInChI=1S/C8H15NO.ClH/c1-10-8-4-6-2-3-7(5-8)9-6;/h6-9H,2-5H2,1H3;1H/t6-,7+,8?;
InChIKeyTUQKVSDUCJVCOI-PAFGHYSMSA-N
XLogP1.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Npc136192
CID 11859618
Endo-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
CID 84401
3-Ethoxy-8-azabicyclo[3.2.1]octane
CID 112756675
Nortropine acetate
CID 70197099
rac-(1R,3S,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
CID 129320555
3-Methoxy-8-methyl-8-azabicyclo[3.2.1]octane
CID 140091
Nortropine hydrochloride
CID 21116012
(3-Endo)-3-Methoxy-8-azabicyclo[3.2.1]octane
CID 51072183
(1R,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 6931969
1-(a-Tetrahydrofuryl)-2-ethylaminopropane
CID 60817983
3-Hydroxytropanium bromide
CID 129655728
3-[3-(2,2,2-Trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane
CID 114199677

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride (CID 75530875) is (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride is COC1C[C@H]2CC[C@@H](C1)N2.Cl.
What is the InChIKey of (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is TUQKVSDUCJVCOI-PAFGHYSMSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-10-8-4-6-2-3-7(5-8)9-6;/h6-9H,2-5H2,1H3;1H/t6-,7+,8?;.
What are the key properties of (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride?
(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 75530875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).