4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol

C14H27F3N2O2 — CID 70048102

IUPAC4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
SMILESCC(O)C(O)C(N)C(C1CCCCC1)N(C)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O2/c1-9(20)13(21)11(18)12(10-6-4-3-5-7-10)19(2)8-14(15,16)17/h9-13,20-21H,3-8,18H2,1-2H3
InChIKeyMWIQYBPEJUVZJT-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.50
Rot. Bonds6

About 4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol

4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol (PubChem CID 70048102) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol.

Molecular Properties

Compound Name4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
PubChem CID70048102
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
SMILESCC(O)C(O)C(N)C(C1CCCCC1)N(C)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O2/c1-9(20)13(21)11(18)12(10-6-4-3-5-7-10)19(2)8-14(15,16)17/h9-13,20-21H,3-8,18H2,1-2H3
InChIKeyMWIQYBPEJUVZJT-UHFFFAOYSA-N
XLogP1.50
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-5-cyclohexyl-1-[ethyl(methyl)amino]-1,1,2-trifluoropentane-2,3-diol
CID 54256197
(2S,3R,4S)-4-amino-5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 57282119
(3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol
CID 67807670
(2S,3R,4S)-4-amino-5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70047398
(2S,3R,4S)-4-amino-5-cyclohexyl-1-[methyl(1,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70047402
4-Amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol
CID 70048103
2-Amino-1-cyclohexyl-7,7,7-trifluoro-5-(methylamino)heptane-3,4-diol
CID 70048104
1-Cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049565
1-Cyclohexyl-1-[methyl(1,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049570
(2S,3R,4S)-4-amino-5-cyclohexyl-1-(3,3,3-trifluoropropylamino)pentane-2,3-diol
CID 154299915
4-Amino-5-cyclohexyl-1-(dimethylamino)pentane-2,3-diol
CID 21571523
(2RS,3RS,4S)-4-amino-5-cyclohexyl-1-diethylamino-2,3-pentanediol
CID 22844606

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol?
The IUPAC name of 4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol (CID 70048102) is 4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol.
What is the SMILES notation for 4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol?
The canonical SMILES for 4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol is CC(O)C(O)C(N)C(C1CCCCC1)N(C)CC(F)(F)F.
What is the InChIKey of 4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol?
The InChIKey is MWIQYBPEJUVZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-9(20)13(21)11(18)12(10-6-4-3-5-7-10)19(2)8-14(15,16)17/h9-13,20-21H,3-8,18H2,1-2H3.
What are the key properties of 4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol?
4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol has a molecular weight of 312.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclohexyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol is sourced from PubChem (CID 70048102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).