1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol

C11H23F3N2O — CID 64820458

IUPAC1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCC(C)N(CC(F)(F)F)C(C)CC(C)(O)CN
InChIInChI=1S/C11H23F3N2O/c1-8(2)16(7-11(12,13)14)9(3)5-10(4,17)6-15/h8-9,17H,5-7,15H2,1-4H3
InChIKeyTVHZXBUPKFSERI-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.75
Rot. Bonds6

About 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol

1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol (PubChem CID 64820458) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol
PubChem CID64820458
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCC(C)N(CC(F)(F)F)C(C)CC(C)(O)CN
InChIInChI=1S/C11H23F3N2O/c1-8(2)16(7-11(12,13)14)9(3)5-10(4,17)6-15/h8-9,17H,5-7,15H2,1-4H3
InChIKeyTVHZXBUPKFSERI-UHFFFAOYSA-N
XLogP1.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol (CID 64820458) is 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol is CC(C)N(CC(F)(F)F)C(C)CC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The InChIKey is TVHZXBUPKFSERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-8(2)16(7-11(12,13)14)9(3)5-10(4,17)6-15/h8-9,17H,5-7,15H2,1-4H3.
What are the key properties of 1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol has a molecular weight of 256.31 g/mol, XLogP of 1.75, 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-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol is sourced from PubChem (CID 64820458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).