N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate)

C131H205N13O17S7-6 — CID 161418358

IUPACN-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate)
SMILESCC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(Oc2ccc(NCC3CCC(N)CC3)cc2)C1C.CCc1cc(NCC2CCC(N)CC2)ccc1OC1CCCC1.Cc1cc(-c2ccco2)ccc1NC[C@@H]1CC[C@@H](N)C(C)C1.Cc1cc(-c2ncco2)ccc1NC[C@@H]1CC[C@@H](N)C(C)C1.Cc1csc(-c2ccc(NCC3CCC(N)CC3)c(C)c2)c1.NC1CCC(CNc2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/2C20H32N2O.C19H26N2O.C19H26N2S.C18H25N3O.C17H22N2O.6C3H8O2S/c1-14-3-12-20(15(14)2)23-19-10-8-18(9-11-19)22-13-16-4-6-17(21)7-5-16;1-2-16-13-18(22-14-15-7-9-17(21)10-8-15)11-12-20(16)23-19-5-3-4-6-19;1-13-10-15(5-7-17(13)20)12-21-18-8-6-16(11-14(18)2)19-4-3-9-22-19;1-13-9-19(22-12-13)16-5-8-18(14(2)10-16)21-11-15-3-6-17(20)7-4-15;1-12-9-14(3-5-16(12)19)11-21-17-6-4-15(10-13(17)2)18-20-7-8-22-18;18-15-8-6-13(7-9-15)12-19-16-4-1-3-14(11-16)17-5-2-10-20-17;6*1-3(2)6(4)5/h8-11,14-17,20,22H,3-7,12-13,21H2,1-2H3;11-13,15,17,19,22H,2-10,14,21H2,1H3;3-4,6,8-9,11,13,15,17,21H,5,7,10,12,20H2,1-2H3;5,8-10,12,15,17,21H,3-4,6-7,11,20H2,1-2H3;4,6-8,10,12,14,16,21H,3,5,9,11,19H2,1-2H3;1-5,10-11,13,15,19H,6-9,12,18H2;6*3H,1-2H3,(H,4,5)/p-6/t;;13?,15-,17-;;12?,14-,16-;;;;;;;/m..1.1......./s1
InChIKeyOZKQQWWPYXICLY-DHXSTTJLSA-H
MW2458.62 g/mol
LogP27.67
Rot. Bonds33

About N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate)

N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate) (PubChem CID 161418358) has the molecular formula C131H205N13O17S7-6 and a molecular weight of 2458.62 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate).

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate)
PubChem CID161418358
Molecular FormulaC131H205N13O17S7-6
Molecular Weight2458.62 g/mol
Exact Mass2456.37
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate)
SMILESCC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(Oc2ccc(NCC3CCC(N)CC3)cc2)C1C.CCc1cc(NCC2CCC(N)CC2)ccc1OC1CCCC1.Cc1cc(-c2ccco2)ccc1NC[C@@H]1CC[C@@H](N)C(C)C1.Cc1cc(-c2ncco2)ccc1NC[C@@H]1CC[C@@H](N)C(C)C1.Cc1csc(-c2ccc(NCC3CCC(N)CC3)c(C)c2)c1.NC1CCC(CNc2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/2C20H32N2O.C19H26N2O.C19H26N2S.C18H25N3O.C17H22N2O.6C3H8O2S/c1-14-3-12-20(15(14)2)23-19-10-8-18(9-11-19)22-13-16-4-6-17(21)7-5-16;1-2-16-13-18(22-14-15-7-9-17(21)10-8-15)11-12-20(16)23-19-5-3-4-6-19;1-13-10-15(5-7-17(13)20)12-21-18-8-6-16(11-14(18)2)19-4-3-9-22-19;1-13-9-19(22-12-13)16-5-8-18(14(2)10-16)21-11-15-3-6-17(20)7-4-15;1-12-9-14(3-5-16(12)19)11-21-17-6-4-15(10-13(17)2)18-20-7-8-22-18;18-15-8-6-13(7-9-15)12-19-16-4-1-3-14(11-16)17-5-2-10-20-17;6*1-3(2)6(4)5/h8-11,14-17,20,22H,3-7,12-13,21H2,1-2H3;11-13,15,17,19,22H,2-10,14,21H2,1H3;3-4,6,8-9,11,13,15,17,21H,5,7,10,12,20H2,1-2H3;5,8-10,12,15,17,21H,3-4,6-7,11,20H2,1-2H3;4,6-8,10,12,14,16,21H,3,5,9,11,19H2,1-2H3;1-5,10-11,13,15,19H,6-9,12,18H2;6*3H,1-2H3,(H,4,5)/p-6/t;;13?,15-,17-;;12?,14-,16-;;;;;;;/m..1.1......./s1
InChIKeyOZKQQWWPYXICLY-DHXSTTJLSA-H
XLogP27.67
TPSA539.85 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002458.62
LogP ≤ 527.67
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate) with MolForge

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Related Compounds

CID 157092112
CID 157092112
CID 157389703
CID 157389703
4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]piperidine-1-carboxamide
CID 158377272
N-(4-cyclopentyloxy-3-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-methoxy-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;2,3,4-trimethyl-5-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 158400428
4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]-3-methylbenzamide;4-(tert-butylsulfonylamino)-N-[3-(furan-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]benzamide
CID 159495387
CID 159528729
CID 159528729
N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;trans-(1R,4R)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 159567160
N'-(4-cyclopentyloxy-3-ethylphenyl)pentane-1,5-diamine;N'-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentane-1,5-diamine;N'-[3-ethyl-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;N'-[4-(furan-2-yl)-2-methylphenyl]-2-methylpentane-1,5-diamine;N'-[3-(furan-2-yl)phenyl]pentane-1,5-diamine;2-methyl-N'-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]pentane-1,5-diamine;N'-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentane-1,5-diamine;heptakis(propane-2-sulfinate)
CID 159792631
4-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]benzamide;4-(tert-butylsulfonylamino)-2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]-3-methylbenzamide;4-(tert-butylsulfonylamino)-3-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]benzamide
CID 159835978
CID 159872935
CID 159872935
1-Cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-heptyl-3,4-dimethyl-5-(trifluoromethyl)pyridine;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-(3-heptylphenyl)furan;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;octakis(propane-2-sulfinate)
CID 159955330
CID 160612331
CID 160612331

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate)?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate) (CID 161418358) is N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate).
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate)?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate) is CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(Oc2ccc(NCC3CCC(N)CC3)cc2)C1C.CCc1cc(NCC2CCC(N)CC2)ccc1OC1CCCC1.Cc1cc(-c2ccco2)ccc1NC[C@@H]1CC[C@@H](N)C(C)C1.Cc1cc(-c2ncco2)ccc1NC[C@@H]1CC[C@@H](N)C(C)C1.Cc1csc(-c2ccc(NCC3CCC(N)CC3)c(C)c2)c1.NC1CCC(CNc2cccc(-c3ccco3)c2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate)?
The InChIKey is OZKQQWWPYXICLY-DHXSTTJLSA-H. The full InChI is InChI=1S/2C20H32N2O.C19H26N2O.C19H26N2S.C18H25N3O.C17H22N2O.6C3H8O2S/c1-14-3-12-20(15(14)2)23-19-10-8-18(9-11-19)22-13-16-4-6-17(21)7-5-16;1-2-16-13-18(22-14-15-7-9-17(21)10-8-15)11-12-20(16)23-19-5-3-4-6-19;1-13-10-15(5-7-17(13)20)12-21-18-8-6-16(11-14(18)2)19-4-3-9-22-19;1-13-9-19(22-12-13)16-5-8-18(14(2)10-16)21-11-15-3-6-17(20)7-4-15;1-12-9-14(3-5-16(12)19)11-21-17-6-4-15(10-13(17)2)18-20-7-8-22-18;18-15-8-6-13(7-9-15)12-19-16-4-1-3-14(11-16)17-5-2-10-20-17;6*1-3(2)6(4)5/h8-11,14-17,20,22H,3-7,12-13,21H2,1-2H3;11-13,15,17,19,22H,2-10,14,21H2,1H3;3-4,6,8-9,11,13,15,17,21H,5,7,10,12,20H2,1-2H3;5,8-10,12,15,17,21H,3-4,6-7,11,20H2,1-2H3;4,6-8,10,12,14,16,21H,3,5,9,11,19H2,1-2H3;1-5,10-11,13,15,19H,6-9,12,18H2;6*3H,1-2H3,(H,4,5)/p-6/t;;13?,15-,17-;;12?,14-,16-;;;;;;;/m..1.1......./s1.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate)?
N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate) has a molecular weight of 2458.62 g/mol, XLogP of 27.67, 33 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4-cyclopentyloxy-3-ethylaniline;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dimethylcyclopentyl)oxyaniline;N-[(4-aminocyclohexyl)methyl]-3-(furan-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-2-methyl-4-(4-methylthiophen-2-yl)aniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-4-(furan-2-yl)-2-methylaniline;N-[[(1R,4R)-4-amino-3-methylcyclohexyl]methyl]-2-methyl-4-(1,3-oxazol-2-yl)aniline;hexakis(propane-2-sulfinate) is sourced from PubChem (CID 161418358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).