(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol

C10H19NO — CID 6946851

IUPAC(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCN1[C@@H]2CC[C@@H]1CC(O)C2
InChIInChI=1S/C10H19NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyICLCILJDFDMZEP-RKDXNWHRSA-N
MW169.27 g/mol
LogP1.38
Rot. Bonds2

About (1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol

(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 6946851) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID6946851
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCN1[C@@H]2CC[C@@H]1CC(O)C2
InChIInChI=1S/C10H19NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyICLCILJDFDMZEP-RKDXNWHRSA-N
XLogP1.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069992
(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069991
8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768554
8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 114448981
(1S,5R)-8-propyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 70026794
8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769257
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,2-dimethylbutanimidamide
CID 65252769
6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol
CID 169176947
8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 106932829
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-methylphenyl)propan-1-one
CID 63770677
8-[4,4-dimethyl-3-(methylamino)pentyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769276
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide
CID 63769780

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol (CID 6946851) is (1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol is CCCN1[C@@H]2CC[C@@H]1CC(O)C2.
What is the InChIKey of (1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ICLCILJDFDMZEP-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of (1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 6946851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).