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

C9H19F3N2O — CID 64820222

IUPAC1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCN(CCCC(C)(O)CN)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(15,6-13)4-3-5-14(2)7-9(10,11)12/h15H,3-7,13H2,1-2H3
InChIKeyFNTAZSGOULWVTD-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.97
Rot. Bonds6

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

1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol (PubChem CID 64820222) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
PubChem CID64820222
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCN(CCCC(C)(O)CN)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(15,6-13)4-3-5-14(2)7-9(10,11)12/h15H,3-7,13H2,1-2H3
InChIKeyFNTAZSGOULWVTD-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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Related Compounds

3,3-Difluoro-2,4-dimethyl-1-(methylamino)pentan-2-ol
CID 156547546
1-Amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 64818664
1-Amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64819774
1-Amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
CID 64819997
1-Amino-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexan-2-ol
CID 64819999
1-Amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 64820224
1-Amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol
CID 64820458
1-Amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-2-ol
CID 64820460
1-Amino-2-methyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol
CID 64820680
1-Amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-2-ol
CID 64820683
1-Amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol
CID 64820899
1-Amino-6-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol
CID 64820901

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol (CID 64820222) is 1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol is CN(CCCC(C)(O)CN)CC(F)(F)F.
What is the InChIKey of 1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The InChIKey is FNTAZSGOULWVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-8(15,6-13)4-3-5-14(2)7-9(10,11)12/h15H,3-7,13H2,1-2H3.
What are the key properties of 1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-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 1-amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol is sourced from PubChem (CID 64820222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).