(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol

C11H21NO — CID 98069992

IUPAC(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCN1[C@H]2CCC[C@H]1CC(O)C2
InChIInChI=1S/C11H21NO/c1-2-6-12-9-4-3-5-10(12)8-11(13)7-9/h9-11,13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyJOCBUDJYACSQHX-UWVGGRQHSA-N
MW183.29 g/mol
LogP1.77
Rot. Bonds2

About (1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol

(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 98069992) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID98069992
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCN1[C@H]2CCC[C@H]1CC(O)C2
InChIInChI=1S/C11H21NO/c1-2-6-12-9-4-3-5-10(12)8-11(13)7-9/h9-11,13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyJOCBUDJYACSQHX-UWVGGRQHSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069991
(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6946851
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
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)-13-azatricyclo[7.3.1.05,13]tridecan-3-ol
CID 131019218
6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol
CID 169176947
1-(2-methylpropyl)-3-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
CID 1461392
(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113652
(1S,5R)-8-propyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 70026794
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide
CID 63769780
4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461488

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 98069992) is (1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol is CCCN1[C@H]2CCC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is JOCBUDJYACSQHX-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-6-12-9-4-3-5-10(12)8-11(13)7-9/h9-11,13H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol?
(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 98069992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).