1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol

C13H18F3N3O — CID 102718737

IUPAC1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESNc1cc(C(F)(F)F)cc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)9-6-10(17)19-11(7-9)18-8-12(20)4-2-1-3-5-12/h6-7,20H,1-5,8H2,(H3,17,18,19)
InChIKeyICZJXULPVLGDGB-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.79
Rot. Bonds3

About 1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol

1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol (PubChem CID 102718737) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
PubChem CID102718737
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESNc1cc(C(F)(F)F)cc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)9-6-10(17)19-11(7-9)18-8-12(20)4-2-1-3-5-12/h6-7,20H,1-5,8H2,(H3,17,18,19)
InChIKeyICZJXULPVLGDGB-UHFFFAOYSA-N
XLogP2.79
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 106772295
6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 114117760
1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 66330056
1-[[3-bromo-5-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
CID 65490239
1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 115669125
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 102718825
3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol
CID 102718731
6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719029
6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718410
[1-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopropyl]methanol
CID 102719028
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842435
4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772050

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol (CID 102718737) is 1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol is Nc1cc(C(F)(F)F)cc(NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is ICZJXULPVLGDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)9-6-10(17)19-11(7-9)18-8-12(20)4-2-1-3-5-12/h6-7,20H,1-5,8H2,(H3,17,18,19).
What are the key properties of 1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 289.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 102718737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).