3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine

C13H26F3NO2 — CID 167260593

IUPAC3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCOC(C)(C)CCOC(C)(C)CCNCC(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-11(2,18-5)7-9-19-12(3,4)6-8-17-10-13(14,15)16/h17H,6-10H2,1-5H3
InChIKeyMTVOBFOVLOAZKQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.14
Rot. Bonds9

About 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine

3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 167260593) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID167260593
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC Name3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCOC(C)(C)CCOC(C)(C)CCNCC(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-11(2,18-5)7-9-19-12(3,4)6-8-17-10-13(14,15)16/h17H,6-10H2,1-5H3
InChIKeyMTVOBFOVLOAZKQ-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 167260593) is 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine is COC(C)(C)CCOC(C)(C)CCNCC(F)(F)F.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is MTVOBFOVLOAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-11(2,18-5)7-9-19-12(3,4)6-8-17-10-13(14,15)16/h17H,6-10H2,1-5H3.
What are the key properties of 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 167260593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).