(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol

C10H19NO — CID 98053860

IUPAC(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol
SMILESCC(C)N1C[C@@H]2CC[C@@H](C1)C2O
InChIInChI=1S/C10H19NO/c1-7(2)11-5-8-3-4-9(6-11)10(8)12/h7-10,12H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyATWYZKIOJNYWNJ-IUCAKERBSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds1

About (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol

(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 98053860) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID98053860
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol
SMILESCC(C)N1C[C@@H]2CC[C@@H](C1)C2O
InChIInChI=1S/C10H19NO/c1-7(2)11-5-8-3-4-9(6-11)10(8)12/h7-10,12H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyATWYZKIOJNYWNJ-IUCAKERBSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98053872
2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 131059460
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-amine
CID 98053858
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
CID 163526675
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 67401281
(5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 155648643
5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129015187
5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
CID 169244946
(3aR,6aS)-5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166871486
(3aS,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 89279389

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol (CID 98053860) is (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol is CC(C)N1C[C@@H]2CC[C@@H](C1)C2O.
What is the InChIKey of (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is ATWYZKIOJNYWNJ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)11-5-8-3-4-9(6-11)10(8)12/h7-10,12H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol?
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 169.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 98053860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).