1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol

C12H21F3N2O — CID 65471059

IUPAC1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
SMILESCN1C2CCCC1CC(NCC(O)C(F)(F)F)C2
InChIInChI=1S/C12H21F3N2O/c1-17-9-3-2-4-10(17)6-8(5-9)16-7-11(18)12(13,14)15/h8-11,16,18H,2-7H2,1H3
InChIKeyUSGMIIPEWVDJHC-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.51
Rot. Bonds3

About 1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol (PubChem CID 65471059) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
PubChem CID65471059
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
SMILESCN1C2CCCC1CC(NCC(O)C(F)(F)F)C2
InChIInChI=1S/C12H21F3N2O/c1-17-9-3-2-4-10(17)6-8(5-9)16-7-11(18)12(13,14)15/h8-11,16,18H,2-7H2,1H3
InChIKeyUSGMIIPEWVDJHC-UHFFFAOYSA-N
XLogP1.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol (CID 65471059) is 1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol is CN1C2CCCC1CC(NCC(O)C(F)(F)F)C2.
What is the InChIKey of 1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
The InChIKey is USGMIIPEWVDJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-17-9-3-2-4-10(17)6-8(5-9)16-7-11(18)12(13,14)15/h8-11,16,18H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol has a molecular weight of 266.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 65471059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).