1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol

C12H24N2O — CID 114496396

IUPAC1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C12H24N2O/c1-3-12(2,15)8-14-10-4-5-11(14)7-9(13)6-10/h9-11,15H,3-8,13H2,1-2H3
InChIKeyDOUSYRZUBZIYRK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds3

About 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol (PubChem CID 114496396) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol
PubChem CID114496396
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C12H24N2O/c1-3-12(2,15)8-14-10-4-5-11(14)7-9(13)6-10/h9-11,15H,3-8,13H2,1-2H3
InChIKeyDOUSYRZUBZIYRK-UHFFFAOYSA-N
XLogP1.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2,2-dimethylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712593
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol
CID 61233729
9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79550721
8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738482
8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61234446
(1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 98110540
(1R,5R)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 98110543
8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 103034831
8-(trimethylsilylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 164655648
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide
CID 61235196
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 114496411
8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 70332467

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol?
The IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol (CID 114496396) is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol is CCC(C)(O)CN1C2CCC1CC(N)C2.
What is the InChIKey of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol?
The InChIKey is DOUSYRZUBZIYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-12(2,15)8-14-10-4-5-11(14)7-9(13)6-10/h9-11,15H,3-8,13H2,1-2H3.
What are the key properties of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol?
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol has a molecular weight of 212.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 114496396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).