2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol

C11H21F3N2O — CID 102631605

IUPAC2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol
SMILESCC(N)C(N(C)C1CCCCC1O)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-7(15)10(11(12,13)14)16(2)8-5-3-4-6-9(8)17/h7-10,17H,3-6,15H2,1-2H3
InChIKeyOXSSPBGQYUIENE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds3

About 2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol

2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102631605) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol
PubChem CID102631605
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol
SMILESCC(N)C(N(C)C1CCCCC1O)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-7(15)10(11(12,13)14)16(2)8-5-3-4-6-9(8)17/h7-10,17H,3-6,15H2,1-2H3
InChIKeyOXSSPBGQYUIENE-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol with MolForge

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Related Compounds

2-[[2-amino-1-(4-fluorophenyl)propyl]-methylamino]cyclohexan-1-ol
CID 102631581
trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
CID 93346502
2-[methyl(3-methylbutan-2-yl)amino]cyclopentan-1-ol
CID 60885120
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol
CID 102731911
trans-(1R,2R)-2-[cyclopropyl(methyl)amino]cyclohexan-1-ol
CID 102731882
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 102732133
2-[4-methoxybutan-2-yl(methyl)amino]cyclohexan-1-ol
CID 102636514
3-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 104954562
2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol
CID 138617266
(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102631964
trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 104954596

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol (CID 102631605) is 2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol is CC(N)C(N(C)C1CCCCC1O)C(F)(F)F.
What is the InChIKey of 2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is OXSSPBGQYUIENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-7(15)10(11(12,13)14)16(2)8-5-3-4-6-9(8)17/h7-10,17H,3-6,15H2,1-2H3.
What are the key properties of 2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol?
2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).