N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide

C47H74F9N11O3S — CID 158103711

IUPACN-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESC.CC.CC(C)S(=O)(=O)NCC1CCC(Nc2ccc(C(F)(F)F)cn2)CC1.CCO.NCC1CCC(Nc2ccc(C(F)(F)F)cn2)CC1.[N-]=[N+]=NCC1CCC(Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H24F3N3O2S.C13H16F3N5.C13H18F3N3.C2H6O.C2H6.CH4/c1-11(2)25(23,24)21-9-12-3-6-14(7-4-12)22-15-8-5-13(10-20-15)16(17,18)19;14-13(15,16)10-3-6-12(18-8-10)20-11-4-1-9(2-5-11)7-19-21-17;14-13(15,16)10-3-6-12(18-8-10)19-11-4-1-9(7-17)2-5-11;1-2-3;1-2;/h5,8,10-12,14,21H,3-4,6-7,9H2,1-2H3,(H,20,22);3,6,8-9,11H,1-2,4-5,7H2,(H,18,20);3,6,8-9,11H,1-2,4-5,7,17H2,(H,18,19);3H,2H2,1H3;1-2H3;1H4
InChIKeyFPOPRTRRESBWHP-UHFFFAOYSA-N
MW1044.23 g/mol
LogP12.47
Rot. Bonds13

About N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide

N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide (PubChem CID 158103711) has the molecular formula C47H74F9N11O3S and a molecular weight of 1044.23 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide
PubChem CID158103711
Molecular FormulaC47H74F9N11O3S
Molecular Weight1044.23 g/mol
Exact Mass1043.56
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESC.CC.CC(C)S(=O)(=O)NCC1CCC(Nc2ccc(C(F)(F)F)cn2)CC1.CCO.NCC1CCC(Nc2ccc(C(F)(F)F)cn2)CC1.[N-]=[N+]=NCC1CCC(Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H24F3N3O2S.C13H16F3N5.C13H18F3N3.C2H6O.C2H6.CH4/c1-11(2)25(23,24)21-9-12-3-6-14(7-4-12)22-15-8-5-13(10-20-15)16(17,18)19;14-13(15,16)10-3-6-12(18-8-10)20-11-4-1-9(2-5-11)7-19-21-17;14-13(15,16)10-3-6-12(18-8-10)19-11-4-1-9(7-17)2-5-11;1-2-3;1-2;/h5,8,10-12,14,21H,3-4,6-7,9H2,1-2H3,(H,20,22);3,6,8-9,11H,1-2,4-5,7H2,(H,18,20);3,6,8-9,11H,1-2,4-5,7,17H2,(H,18,19);3H,2H2,1H3;1-2H3;1H4
InChIKeyFPOPRTRRESBWHP-UHFFFAOYSA-N
XLogP12.47
TPSA215.94 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001044.23
LogP ≤ 512.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]ethanesulfonamide
CID 91240981
N-[3-[[[2-[4-[(2-hydroxyethylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]ethanesulfonamide
CID 91567571
N-[(E)-but-2-en-2-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine;N',N'-dimethyl-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine;ethane;3-methyl-N-(3-methylphenyl)oxan-4-amine;N-(3-methylphenyl)-1-methylsulfonylpiperidin-4-amine
CID 144655061
N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;carbanide;ethanol;methane;palladium;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 158337045
N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;carbanide;ethanol;palladium;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 160389191
N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;carbanide;palladium;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 161869130
N-[(4-aminocyclohexyl)methyl]propane-2-sulfonamide;2-chloro-5-(trifluoromethyl)pyridine;N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide;hydrochloride
CID 162110854
N-cyclohexyl-5-(2,2-dimethylpropyl)pyridin-2-amine;2-(4,4-difluoropiperidin-1-yl)-5-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;5-(2,2-dimethylpropyl)-2-piperidin-1-ylpyridine;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide;1-[5-(2,2-dimethylpropyl)-2-pyridinyl]-4-methylpiperazine;1-[5-(2,2-dimethylpropyl)-2-pyridinyl]piperazine;1-[5-(2,2-dimethylpropyl)-2-pyridinyl]piperidin-4-ol
CID 167573841
5-tert-butyl-N-cyclohexylpyridin-2-amine;5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine;5-tert-butyl-N,N-dimethylpyridin-2-amine;5-tert-butyl-2-(1-methylpiperidin-4-yl)pyridine;5-tert-butyl-2-phenylpyridine;5-tert-butyl-2-piperidin-1-ylpyridine;5-tert-butylpyridin-2-amine;N-(5-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;N-(5-tert-butyl-2-pyridinyl)methanesulfonamide;1-(5-tert-butyl-2-pyridinyl)piperidin-4-ol;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 167690914

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide (CID 158103711) is N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide is C.CC.CC(C)S(=O)(=O)NCC1CCC(Nc2ccc(C(F)(F)F)cn2)CC1.CCO.NCC1CCC(Nc2ccc(C(F)(F)F)cn2)CC1.[N-]=[N+]=NCC1CCC(Nc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The InChIKey is FPOPRTRRESBWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2S.C13H16F3N5.C13H18F3N3.C2H6O.C2H6.CH4/c1-11(2)25(23,24)21-9-12-3-6-14(7-4-12)22-15-8-5-13(10-20-15)16(17,18)19;14-13(15,16)10-3-6-12(18-8-10)20-11-4-1-9(2-5-11)7-19-21-17;14-13(15,16)10-3-6-12(18-8-10)19-11-4-1-9(7-17)2-5-11;1-2-3;1-2;/h5,8,10-12,14,21H,3-4,6-7,9H2,1-2H3,(H,20,22);3,6,8-9,11H,1-2,4-5,7H2,(H,18,20);3,6,8-9,11H,1-2,4-5,7,17H2,(H,18,19);3H,2H2,1H3;1-2H3;1H4.
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide has a molecular weight of 1044.23 g/mol, XLogP of 12.47, 13 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;N-[4-(azidomethyl)cyclohexyl]-5-(trifluoromethyl)pyridin-2-amine;ethane;ethanol;methane;N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 158103711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).