2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

C9H19F3N2O — CID 64825656

IUPAC2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCN(CCCC(C)(N)CO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(13,7-15)4-3-5-14(2)6-9(10,11)12/h15H,3-7,13H2,1-2H3
InChIKeyDKFDTTKLNXZPSD-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.97
Rot. Bonds6

About 2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (PubChem CID 64825656) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
PubChem CID64825656
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCN(CCCC(C)(N)CO)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(13,7-15)4-3-5-14(2)6-9(10,11)12/h15H,3-7,13H2,1-2H3
InChIKeyDKFDTTKLNXZPSD-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (CID 64825656) is 2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is CN(CCCC(C)(N)CO)CC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The InChIKey is DKFDTTKLNXZPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-8(13,7-15)4-3-5-14(2)6-9(10,11)12/h15H,3-7,13H2,1-2H3.
What are the key properties of 2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol has a molecular weight of 228.26 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is sourced from PubChem (CID 64825656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).