4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol

C15H27NO — CID 167425034

IUPAC4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol
SMILESCC(C)C1C2C3CC(CC3O)C2CN1C(C)C
InChIInChI=1S/C15H27NO/c1-8(2)15-14-11-5-10(6-13(11)17)12(14)7-16(15)9(3)4/h8-15,17H,5-7H2,1-4H3
InChIKeyZZISVYNYBPTKIR-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.37
Rot. Bonds2

About 4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol

4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 167425034) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol
PubChem CID167425034
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol
SMILESCC(C)C1C2C3CC(CC3O)C2CN1C(C)C
InChIInChI=1S/C15H27NO/c1-8(2)15-14-11-5-10(6-13(11)17)12(14)7-16(15)9(3)4/h8-15,17H,5-7H2,1-4H3
InChIKeyZZISVYNYBPTKIR-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-di(propan-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
CID 167425064
9-deuterio-3,4-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 167425075
(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol
CID 146572367
(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane
CID 166831910
4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol
CID 20697986
tricyclo[5.2.1.02,6]decane-3,4,9-triol
CID 13191206
6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol
CID 117050678
(1S,2R,5R)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 68574217
9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58312204
(1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol
CID 124536655
(3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol
CID 99134697
(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 126658236

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol (CID 167425034) is 4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol is CC(C)C1C2C3CC(CC3O)C2CN1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is ZZISVYNYBPTKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-8(2)15-14-11-5-10(6-13(11)17)12(14)7-16(15)9(3)4/h8-15,17H,5-7H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol?
4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 237.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 167425034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).