2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine

C15H28F6N2O — CID 177239850

IUPAC2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine
SMILESCC(C)(CNCCC(F)(F)F)COCC(C)(C)NCCC(F)(F)F
InChIInChI=1S/C15H28F6N2O/c1-12(2,9-22-7-5-14(16,17)18)10-24-11-13(3,4)23-8-6-15(19,20)21/h22-23H,5-11H2,1-4H3
InChIKeyWSOXJVYOUNYMDY-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.89
Rot. Bonds11

About 2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine

2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine (PubChem CID 177239850) has the molecular formula C15H28F6N2O and a molecular weight of 366.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine
PubChem CID177239850
Molecular FormulaC15H28F6N2O
Molecular Weight366.39 g/mol
Exact Mass366.21
IUPAC Name2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine
SMILESCC(C)(CNCCC(F)(F)F)COCC(C)(C)NCCC(F)(F)F
InChIInChI=1S/C15H28F6N2O/c1-12(2,9-22-7-5-14(16,17)18)10-24-11-13(3,4)23-8-6-15(19,20)21/h22-23H,5-11H2,1-4H3
InChIKeyWSOXJVYOUNYMDY-UHFFFAOYSA-N
XLogP3.89
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,3-trimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 58297123
N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine
CID 138460818
N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
CID 138467557
2-methyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine;molecular hydrogen
CID 144110107
1,1,1,3,3,3-hexafluoro-N-[1-[3,3,3-trifluoro-2,2-bis[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)propoxymethyl]propoxy]propan-2-yl]propan-2-amine
CID 154981936
4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine
CID 155183422
N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
CID 156047433
N-[2-[2-(2,2-difluoropropoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
CID 159353472
N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine
CID 161036343
N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine
CID 161036344
N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine
CID 161286343
N-[2,2-difluoro-3-(2-fluorobutoxy)propyl]-2-methylpropan-2-amine
CID 161888068

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine (CID 177239850) is 2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine is CC(C)(CNCCC(F)(F)F)COCC(C)(C)NCCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine?
The InChIKey is WSOXJVYOUNYMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F6N2O/c1-12(2,9-22-7-5-14(16,17)18)10-24-11-13(3,4)23-8-6-15(19,20)21/h22-23H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine?
2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine has a molecular weight of 366.39 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine is sourced from PubChem (CID 177239850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).