2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol

C14H25NO2 — CID 79855597

IUPAC2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCC(CN2CC3CCC(C2)O3)C1O
InChIInChI=1S/C14H25NO2/c1-14(2)6-5-10(13(14)16)7-15-8-11-3-4-12(9-15)17-11/h10-13,16H,3-9H2,1-2H3
InChIKeyCYKLLGVBGUAPDG-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.65
Rot. Bonds2

About 2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol

2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol (PubChem CID 79855597) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol
PubChem CID79855597
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCC(CN2CC3CCC(C2)O3)C1O
InChIInChI=1S/C14H25NO2/c1-14(2)6-5-10(13(14)16)7-15-8-11-3-4-12(9-15)17-11/h10-13,16H,3-9H2,1-2H3
InChIKeyCYKLLGVBGUAPDG-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol (CID 79855597) is 2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol is CC1(C)CCC(CN2CC3CCC(C2)O3)C1O.
What is the InChIKey of 2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol?
The InChIKey is CYKLLGVBGUAPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2)6-5-10(13(14)16)7-15-8-11-3-4-12(9-15)17-11/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol?
2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 79855597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).