(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

C8H16ClNO — CID 44550837

IUPAC(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCC1(O)C[C@H]2CC[C@@H](C1)N2.Cl
InChIInChI=1S/C8H15NO.ClH/c1-8(10)4-6-2-3-7(5-8)9-6;/h6-7,9-10H,2-5H2,1H3;1H/t6-,7+,8?;
InChIKeyIPLBQEHOXUCVRY-PAFGHYSMSA-N
MW177.67 g/mol
LogP1.07
Rot. Bonds

About (1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (PubChem CID 44550837) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
PubChem CID44550837
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCC1(O)C[C@H]2CC[C@@H](C1)N2.Cl
InChIInChI=1S/C8H15NO.ClH/c1-8(10)4-6-2-3-7(5-8)9-6;/h6-7,9-10H,2-5H2,1H3;1H/t6-,7+,8?;
InChIKeyIPLBQEHOXUCVRY-PAFGHYSMSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The IUPAC name of (1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (CID 44550837) is (1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.
What is the SMILES notation for (1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The canonical SMILES for (1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is CC1(O)C[C@H]2CC[C@@H](C1)N2.Cl.
What is the InChIKey of (1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The InChIKey is IPLBQEHOXUCVRY-PAFGHYSMSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-8(10)4-6-2-3-7(5-8)9-6;/h6-7,9-10H,2-5H2,1H3;1H/t6-,7+,8?;.
What are the key properties of (1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is sourced from PubChem (CID 44550837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).