2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine

C14H24F2N2O — CID 156745892

IUPAC2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine
SMILESCC(C)N1CC2C(C1)C2OC1CCCC(F)(F)C1N
InChIInChI=1S/C14H24F2N2O/c1-8(2)18-6-9-10(7-18)12(9)19-11-4-3-5-14(15,16)13(11)17/h8-13H,3-7,17H2,1-2H3
InChIKeyANHABLSWLYZIQB-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.86
Rot. Bonds3

About 2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine

2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine (PubChem CID 156745892) has the molecular formula C14H24F2N2O and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine
PubChem CID156745892
Molecular FormulaC14H24F2N2O
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine
SMILESCC(C)N1CC2C(C1)C2OC1CCCC(F)(F)C1N
InChIInChI=1S/C14H24F2N2O/c1-8(2)18-6-9-10(7-18)12(9)19-11-4-3-5-14(15,16)13(11)17/h8-13H,3-7,17H2,1-2H3
InChIKeyANHABLSWLYZIQB-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine?
The IUPAC name of 2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine (CID 156745892) is 2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for 2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine is CC(C)N1CC2C(C1)C2OC1CCCC(F)(F)C1N.
What is the InChIKey of 2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine?
The InChIKey is ANHABLSWLYZIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O/c1-8(2)18-6-9-10(7-18)12(9)19-11-4-3-5-14(15,16)13(11)17/h8-13H,3-7,17H2,1-2H3.
What are the key properties of 2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine?
2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 156745892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).