2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine

C12H22F3NO — CID 115516369

IUPAC2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine
SMILESCCC1(C)CC(NCCCC(F)(F)F)CCO1
InChIInChI=1S/C12H22F3NO/c1-3-11(2)9-10(5-8-17-11)16-7-4-6-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyUZIYDQGDNCISPZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds5

About 2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine

2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine (PubChem CID 115516369) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine
PubChem CID115516369
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine
SMILESCCC1(C)CC(NCCCC(F)(F)F)CCO1
InChIInChI=1S/C12H22F3NO/c1-3-11(2)9-10(5-8-17-11)16-7-4-6-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyUZIYDQGDNCISPZ-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide
CID 79395003
N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
CID 115519107
2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine
CID 113412524
2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 83033160
2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine
CID 79552253
tert-butyl N-[2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]-N-methylcarbamate
CID 107244992
2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]-2-methyloxan-4-amine
CID 114105127
4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
CID 115491425
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65115943

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine?
The IUPAC name of 2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine (CID 115516369) is 2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine is CCC1(C)CC(NCCCC(F)(F)F)CCO1.
What is the InChIKey of 2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine?
The InChIKey is UZIYDQGDNCISPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-11(2)9-10(5-8-17-11)16-7-4-6-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine?
2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine is sourced from PubChem (CID 115516369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).