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

C11H22N2O — CID 61233729

IUPAC1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol
SMILESCCC(O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C11H22N2O/c1-2-11(14)7-13-9-3-4-10(13)6-8(12)5-9/h8-11,14H,2-7,12H2,1H3
InChIKeyKXKUCKIEIRLGGM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds3

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

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol (PubChem CID 61233729) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol
PubChem CID61233729
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol
SMILESCCC(O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C11H22N2O/c1-2-11(14)7-13-9-3-4-10(13)6-8(12)5-9/h8-11,14H,2-7,12H2,1H3
InChIKeyKXKUCKIEIRLGGM-UHFFFAOYSA-N
XLogP0.71
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol?
The IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol (CID 61233729) is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol.
What is the SMILES notation for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol?
The canonical SMILES for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol is CCC(O)CN1C2CCC1CC(N)C2.
What is the InChIKey of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol?
The InChIKey is KXKUCKIEIRLGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-11(14)7-13-9-3-4-10(13)6-8(12)5-9/h8-11,14H,2-7,12H2,1H3.
What are the key properties of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol?
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)butan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 0.71, 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)butan-2-ol is sourced from PubChem (CID 61233729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).