2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine

C12H22F3NO2 — CID 83033160

IUPAC2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
SMILESCC1(C)CC(NCCCOCC(F)(F)F)CCO1
InChIInChI=1S/C12H22F3NO2/c1-11(2)8-10(4-7-18-11)16-5-3-6-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyDXLGYAWPHWJCEF-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.50
Rot. Bonds6

About 2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine

2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine (PubChem CID 83033160) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
PubChem CID83033160
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
SMILESCC1(C)CC(NCCCOCC(F)(F)F)CCO1
InChIInChI=1S/C12H22F3NO2/c1-11(2)8-10(4-7-18-11)16-5-3-6-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyDXLGYAWPHWJCEF-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine
CID 112589376
N-(2-but-3-enoxyethyl)-2,2-dimethyloxan-4-amine
CID 106397284
N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
CID 83033238
tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate
CID 83032600
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54961713
N-hept-6-enyl-2,2-dimethyloxan-4-amine
CID 107007059
2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine
CID 115516369
5-[(2,2-dimethyloxan-4-yl)amino]-2-methylpentan-1-ol
CID 106158085
2,2-dimethyl-N-(3-methylbut-3-enyl)oxan-4-amine
CID 114472487
2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide
CID 106333827
N-(3-propoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 82941325
2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 79927147

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine (CID 83033160) is 2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine is CC1(C)CC(NCCCOCC(F)(F)F)CCO1.
What is the InChIKey of 2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The InChIKey is DXLGYAWPHWJCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-11(2)8-10(4-7-18-11)16-5-3-6-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine has a molecular weight of 269.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine is sourced from PubChem (CID 83033160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).