(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol

C10H19F3N2O — CID 121379122

IUPAC(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol
SMILESC[C@](CO)(NC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(6-16,10(11,12)13)15-8-4-2-7(14)3-5-8/h7-8,15-16H,2-6,14H2,1H3/t7?,8?,9-/m1/s1
InChIKeyXYZVPEZWLBRVCB-AMDVSUOASA-N
MW240.27 g/mol
LogP1.16
Rot. Bonds3

About (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol

(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol (PubChem CID 121379122) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol
PubChem CID121379122
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol
SMILESC[C@](CO)(NC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(6-16,10(11,12)13)15-8-4-2-7(14)3-5-8/h7-8,15-16H,2-6,14H2,1H3/t7?,8?,9-/m1/s1
InChIKeyXYZVPEZWLBRVCB-AMDVSUOASA-N
XLogP1.16
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol with MolForge

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Related Compounds

3-(Cyclohexylamino)-1,1,1-trifluoropropan-2-ol
CID 3454746
3-((trans-4-Aminocyclohexyl)amino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 68276339
2-[[(4-Aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol
CID 121379110
2-[(4-Aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol
CID 121379123
2-[[(4-Aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol
CID 121379158
(2S)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129247945
(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129247978
1-[(4-Aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129248192
2-[(4-Aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129275943
2-[(4,4-Difluorocyclohexyl)amino]ethanol
CID 129320071
(2R)-3-[[(1S,2S)-2-(tert-butylamino)cyclohexyl]-methylamino]-1,1,1-trifluoropropan-2-ol
CID 134429466
(2S)-3-[[(1S,2S)-2-(tert-butylamino)cyclohexyl]-methylamino]-1,1,1-trifluoropropan-2-ol
CID 134429486

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol?
The IUPAC name of (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol (CID 121379122) is (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol?
The canonical SMILES for (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol is C[C@](CO)(NC1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol?
The InChIKey is XYZVPEZWLBRVCB-AMDVSUOASA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(6-16,10(11,12)13)15-8-4-2-7(14)3-5-8/h7-8,15-16H,2-6,14H2,1H3/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol?
(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol has a molecular weight of 240.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol is sourced from PubChem (CID 121379122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).