2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol

C9H19F3N2O — CID 107478931

IUPAC2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC(CCN)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-8(3-4-13)14(5-6-15)7-9(10,11)12/h8,15H,2-7,13H2,1H3
InChIKeyVNVLBWNUUHAUEK-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.97
Rot. Bonds7

About 2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol

2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478931) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478931
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC(CCN)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-8(3-4-13)14(5-6-15)7-9(10,11)12/h8,15H,2-7,13H2,1H3
InChIKeyVNVLBWNUUHAUEK-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107494968
3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 60892901
ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 107480919
N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494664
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309
2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974653
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 107493147
N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
CID 107485792
2-[4-aminobutan-2-yl(propyl)amino]ethanol
CID 61424926
4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 64693783
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449
2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal
CID 62277192

Frequently Asked Questions

What is the IUPAC name of 2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol (CID 107478931) is 2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol is CCC(CCN)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VNVLBWNUUHAUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-2-8(3-4-13)14(5-6-15)7-9(10,11)12/h8,15H,2-7,13H2,1H3.
What are the key properties of 2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol?
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 228.26 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).