6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol

C8H15NO — CID 169176947

IUPAC6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol
SMILESCCN1C2CC(O)CC1C2
InChIInChI=1S/C8H15NO/c1-2-9-6-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3
InChIKeySYSKGZJDTBNIEU-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.60
Rot. Bonds1

About 6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol

6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol (PubChem CID 169176947) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol.

Molecular Properties

Compound Name6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol
PubChem CID169176947
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol
SMILESCCN1C2CC(O)CC1C2
InChIInChI=1S/C8H15NO/c1-2-9-6-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3
InChIKeySYSKGZJDTBNIEU-UHFFFAOYSA-N
XLogP0.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6946851
(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
cyclohexane-1,3,5-triol;ethanol
CID 143582059
(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337296
8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769257
8-[2-(diethylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768554
9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane
CID 90360516
8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 106932829
(1R,3R,4R,5R,7R,8R)-2-ethyl-2-azatricyclo[3.3.1.13,7]decane-4,8-diol
CID 130760663
3-(3-propan-2-ylazetidin-1-yl)cyclobutan-1-ol
CID 104550257
(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol?
The IUPAC name of 6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol (CID 169176947) is 6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol.
What is the SMILES notation for 6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol?
The canonical SMILES for 6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol is CCN1C2CC(O)CC1C2.
What is the InChIKey of 6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol?
The InChIKey is SYSKGZJDTBNIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-6-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3.
What are the key properties of 6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol?
6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol has a molecular weight of 141.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-azabicyclo[3.1.1]heptan-3-ol is sourced from PubChem (CID 169176947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).