8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C17H31NO2 — CID 63769113

IUPAC8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1CCC(O)C(CN2C3CCC2CC(O)C3)C1
InChIInChI=1S/C17H31NO2/c1-11(2)12-3-6-17(20)13(7-12)10-18-14-4-5-15(18)9-16(19)8-14/h11-17,19-20H,3-10H2,1-2H3
InChIKeyNJTMDPWVLUJGGY-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.41
Rot. Bonds3

About 8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769113) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769113
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1CCC(O)C(CN2C3CCC2CC(O)C3)C1
InChIInChI=1S/C17H31NO2/c1-11(2)12-3-6-17(20)13(7-12)10-18-14-4-5-15(18)9-16(19)8-14/h11-17,19-20H,3-10H2,1-2H3
InChIKeyNJTMDPWVLUJGGY-UHFFFAOYSA-N
XLogP2.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63769113) is 8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CC(C)C1CCC(O)C(CN2C3CCC2CC(O)C3)C1.
What is the InChIKey of 8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NJTMDPWVLUJGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-11(2)12-3-6-17(20)13(7-12)10-18-14-4-5-15(18)9-16(19)8-14/h11-17,19-20H,3-10H2,1-2H3.
What are the key properties of 8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 281.44 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-hydroxy-5-propan-2-ylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).