N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine

C19H32F3NO2 — CID 162584362

IUPACN-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine
SMILESCCC1C(C)CCC2=CC(C)C[C@H](ON(O)C(C)(CC)C(F)(F)F)C21
InChIInChI=1S/C19H32F3NO2/c1-6-15-13(4)8-9-14-10-12(3)11-16(17(14)15)25-23(24)18(5,7-2)19(20,21)22/h10,12-13,15-17,24H,6-9,11H2,1-5H3/t12?,13?,15?,16-,17?,18?/m0/s1
InChIKeyWTAXRNPEOUAXII-DCVRSWAJSA-N
MW363.46 g/mol
LogP5.75
Rot. Bonds5

About N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine

N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine (PubChem CID 162584362) has the molecular formula C19H32F3NO2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine
PubChem CID162584362
Molecular FormulaC19H32F3NO2
Molecular Weight363.46 g/mol
Exact Mass363.24
IUPAC NameN-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine
SMILESCCC1C(C)CCC2=CC(C)C[C@H](ON(O)C(C)(CC)C(F)(F)F)C21
InChIInChI=1S/C19H32F3NO2/c1-6-15-13(4)8-9-14-10-12(3)11-16(17(14)15)25-23(24)18(5,7-2)19(20,21)22/h10,12-13,15-17,24H,6-9,11H2,1-5H3/t12?,13?,15?,16-,17?,18?/m0/s1
InChIKeyWTAXRNPEOUAXII-DCVRSWAJSA-N
XLogP5.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine?
The IUPAC name of N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine (CID 162584362) is N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine.
What is the SMILES notation for N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine?
The canonical SMILES for N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine is CCC1C(C)CCC2=CC(C)C[C@H](ON(O)C(C)(CC)C(F)(F)F)C21.
What is the InChIKey of N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine?
The InChIKey is WTAXRNPEOUAXII-DCVRSWAJSA-N. The full InChI is InChI=1S/C19H32F3NO2/c1-6-15-13(4)8-9-14-10-12(3)11-16(17(14)15)25-23(24)18(5,7-2)19(20,21)22/h10,12-13,15-17,24H,6-9,11H2,1-5H3/t12?,13?,15?,16-,17?,18?/m0/s1.
What are the key properties of N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine?
N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine has a molecular weight of 363.46 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-8-ethyl-3,7-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-N-(1,1,1-trifluoro-2-methylbutan-2-yl)hydroxylamine is sourced from PubChem (CID 162584362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).