8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C12H23NO — CID 67587397

IUPAC8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCN1C2CCC1CC(O)(C(C)C)C2
InChIInChI=1S/C12H23NO/c1-4-13-10-5-6-11(13)8-12(14,7-10)9(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyCUASUCGORVWYSH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds2

About 8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 67587397) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID67587397
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCN1C2CCC1CC(O)(C(C)C)C2
InChIInChI=1S/C12H23NO/c1-4-13-10-5-6-11(13)8-12(14,7-10)9(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyCUASUCGORVWYSH-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 8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 67587397) is 8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is CCN1C2CCC1CC(O)(C(C)C)C2.
What is the InChIKey of 8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CUASUCGORVWYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13-10-5-6-11(13)8-12(14,7-10)9(2)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-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 8-ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 67587397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).