1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol

C12H23NO — CID 131162882

IUPAC1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CN1C2CCC1CC2
InChIInChI=1S/C12H23NO/c1-12(2,3)11(14)8-13-9-4-5-10(13)7-6-9/h9-11,14H,4-8H2,1-3H3
InChIKeyDXGFLDKNRUSWSK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds2

About 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol

1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol (PubChem CID 131162882) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol
PubChem CID131162882
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CN1C2CCC1CC2
InChIInChI=1S/C12H23NO/c1-12(2,3)11(14)8-13-9-4-5-10(13)7-6-9/h9-11,14H,4-8H2,1-3H3
InChIKeyDXGFLDKNRUSWSK-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol (CID 131162882) is 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)CN1C2CCC1CC2.
What is the InChIKey of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is DXGFLDKNRUSWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)11(14)8-13-9-4-5-10(13)7-6-9/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol?
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azabicyclo[2.2.1]heptan-7-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 131162882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).