2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol

C12H25F3N2O — CID 107478916

IUPAC2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(CN)CCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-11(2,9-16)5-3-4-6-17(7-8-18)10-12(13,14)15/h18H,3-10,16H2,1-2H3
InChIKeyJKIVHYUWCKIRNF-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.00
Rot. Bonds9

About 2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478916) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478916
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(CN)CCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-11(2,9-16)5-3-4-6-17(7-8-18)10-12(13,14)15/h18H,3-10,16H2,1-2H3
InChIKeyJKIVHYUWCKIRNF-UHFFFAOYSA-N
XLogP2.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

3-(2,2-Dimethylheptylamino)-1,1,1-trifluoropropan-2-ol
CID 80328915
2-[(4-Amino-2,2-dimethylpentan-3-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107478551
2-[(4-Amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478687
2-[(4-Amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478728
2-[(4-Amino-3,3-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478881
2-[(5-Amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478888
2-[[1-(2-Aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478889
2-[(4-Amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478937
2-[(5-Amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478939
2-[[1-(2-Aminoethyl)cyclopropyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478940
6-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylhexanenitrile
CID 107479668
6-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
CID 107480302

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478916) is 2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)(CN)CCCCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is JKIVHYUWCKIRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-11(2,9-16)5-3-4-6-17(7-8-18)10-12(13,14)15/h18H,3-10,16H2,1-2H3.
What are the key properties of 2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 270.34 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5,5-dimethylhexyl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).