N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine

C177H261FN24O19 — CID 161321697

IUPACN-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine
SMILESCC(C)(C)Nc1cccc2ocnc12.CC(C)Cc1ccc2c(n1)CCO2.CC(C)Cc1ccc2c(n1)OCCO2.CC(C)Cc1cccc(C2CCCOC2)n1.CC(C)Cc1cccc([C@@H]2CCCOC2)n1.CC(C)Cc1cccc([C@H]2CCCOC2)n1.CC(C)Cc1cccnc1OC1CCC1.CC(C)Nc1cccnc1OC1CC1.CC(C)Nc1cccnc1OC1CCCCC1.CC(C)Nc1cccnc1OC1CCOCC1.CC(C)Nc1cccnc1OC1COC1.CC(C)Nc1cccnc1O[C@@H]1CCOC1.[2H]C([2H])([2H])Oc1ncc(C)cc1NC(C)C.[2H]C([2H])([2H])Oc1ncc(F)cc1NC(C)C.[2H]C([2H])([2H])Oc1ncccc1NC(C)C
InChIInChI=1S/C14H22N2O.3C14H21NO.C13H20N2O2.C13H19NO.C12H18N2O2.C11H16N2O2.C11H14N2O.C11H16N2O.C11H15NO2.C11H15NO.C10H16N2O.C9H13FN2O.C9H14N2O/c1-11(2)16-13-9-6-10-15-14(13)17-12-7-4-3-5-8-12;3*1-11(2)9-13-6-3-7-14(15-13)12-5-4-8-16-10-12;1-10(2)15-12-4-3-7-14-13(12)17-11-5-8-16-9-6-11;1-10(2)9-11-5-4-8-14-13(11)15-12-6-3-7-12;1-9(2)14-11-4-3-6-13-12(11)16-10-5-7-15-8-10;1-8(2)13-10-4-3-5-12-11(10)15-9-6-14-7-9;1-11(2,3)13-8-5-4-6-9-10(8)12-7-14-9;1-8(2)13-10-4-3-7-12-11(10)14-9-5-6-9;1-8(2)7-9-3-4-10-11(12-9)14-6-5-13-10;1-8(2)7-9-3-4-11-10(12-9)5-6-13-11;1-7(2)12-9-5-8(3)6-11-10(9)13-4;1-6(2)12-8-4-7(10)5-11-9(8)13-3;1-7(2)11-8-5-4-6-10-9(8)12-3/h6,9-12,16H,3-5,7-8H2,1-2H3;3*3,6-7,11-12H,4-5,8-10H2,1-2H3;3-4,7,10-11,15H,5-6,8-9H2,1-2H3;4-5,8,10,12H,3,6-7,9H2,1-2H3;3-4,6,9-10,14H,5,7-8H2,1-2H3;3-5,8-9,13H,6-7H2,1-2H3;4-7,13H,1-3H3;3-4,7-9,13H,5-6H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-4,8H,5-7H2,1-2H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-7,11H,1-3H3/t;2*12-;;;;10-;;;;;;;;/m.10...1......../s1/i;;;;;;;;;;;;4D3;2*3D3
InChIKeyVKFOIYNOYOIGHS-AQHPRPEMSA-N
MW3057.24 g/mol
LogP38.48
Rot. Bonds50

About N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine

N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine (PubChem CID 161321697) has the molecular formula C177H261FN24O19 and a molecular weight of 3057.24 g/mol. Its IUPAC name is N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine
PubChem CID161321697
Molecular FormulaC177H261FN24O19
Molecular Weight3057.24 g/mol
Exact Mass3055.07
IUPAC NameN-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine
SMILESCC(C)(C)Nc1cccc2ocnc12.CC(C)Cc1ccc2c(n1)CCO2.CC(C)Cc1ccc2c(n1)OCCO2.CC(C)Cc1cccc(C2CCCOC2)n1.CC(C)Cc1cccc([C@@H]2CCCOC2)n1.CC(C)Cc1cccc([C@H]2CCCOC2)n1.CC(C)Cc1cccnc1OC1CCC1.CC(C)Nc1cccnc1OC1CC1.CC(C)Nc1cccnc1OC1CCCCC1.CC(C)Nc1cccnc1OC1CCOCC1.CC(C)Nc1cccnc1OC1COC1.CC(C)Nc1cccnc1O[C@@H]1CCOC1.[2H]C([2H])([2H])Oc1ncc(C)cc1NC(C)C.[2H]C([2H])([2H])Oc1ncc(F)cc1NC(C)C.[2H]C([2H])([2H])Oc1ncccc1NC(C)C
InChIInChI=1S/C14H22N2O.3C14H21NO.C13H20N2O2.C13H19NO.C12H18N2O2.C11H16N2O2.C11H14N2O.C11H16N2O.C11H15NO2.C11H15NO.C10H16N2O.C9H13FN2O.C9H14N2O/c1-11(2)16-13-9-6-10-15-14(13)17-12-7-4-3-5-8-12;3*1-11(2)9-13-6-3-7-14(15-13)12-5-4-8-16-10-12;1-10(2)15-12-4-3-7-14-13(12)17-11-5-8-16-9-6-11;1-10(2)9-11-5-4-8-14-13(11)15-12-6-3-7-12;1-9(2)14-11-4-3-6-13-12(11)16-10-5-7-15-8-10;1-8(2)13-10-4-3-5-12-11(10)15-9-6-14-7-9;1-11(2,3)13-8-5-4-6-9-10(8)12-7-14-9;1-8(2)13-10-4-3-7-12-11(10)14-9-5-6-9;1-8(2)7-9-3-4-10-11(12-9)14-6-5-13-10;1-8(2)7-9-3-4-11-10(12-9)5-6-13-11;1-7(2)12-9-5-8(3)6-11-10(9)13-4;1-6(2)12-8-4-7(10)5-11-9(8)13-3;1-7(2)11-8-5-4-6-10-9(8)12-3/h6,9-12,16H,3-5,7-8H2,1-2H3;3*3,6-7,11-12H,4-5,8-10H2,1-2H3;3-4,7,10-11,15H,5-6,8-9H2,1-2H3;4-5,8,10,12H,3,6-7,9H2,1-2H3;3-4,6,9-10,14H,5,7-8H2,1-2H3;3-5,8-9,13H,6-7H2,1-2H3;4-7,13H,1-3H3;3-4,7-9,13H,5-6H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-4,8H,5-7H2,1-2H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-7,11H,1-3H3/t;2*12-;;;;10-;;;;;;;;/m.10...1......../s1/i;;;;;;;;;;;;4D3;2*3D3
InChIKeyVKFOIYNOYOIGHS-AQHPRPEMSA-N
XLogP38.48
TPSA480.90 Ų
H-Bond Donors9
H-Bond Acceptors43
Rotatable Bonds50
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003057.24
LogP ≤ 538.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1043

Analyze N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;2-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;N-propan-2-yl-1,3-benzoxazol-4-amine
CID 157362624
6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;6-(1-oxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridin-2-amine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine
CID 163992589
6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;(5R)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;(5S)-9-[6-(2-methylpropyl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-1,3-benzoxazol-4-amine
CID 167552707
8-anilino-7-(6,7-dimethoxy-1,5-naphthyridin-4-yl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;8-anilino-7-[6-(oxan-4-yloxy)-1,5-naphthyridin-4-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 172300063

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine?
The IUPAC name of N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine (CID 161321697) is N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine.
What is the SMILES notation for N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine?
The canonical SMILES for N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine is CC(C)(C)Nc1cccc2ocnc12.CC(C)Cc1ccc2c(n1)CCO2.CC(C)Cc1ccc2c(n1)OCCO2.CC(C)Cc1cccc(C2CCCOC2)n1.CC(C)Cc1cccc([C@@H]2CCCOC2)n1.CC(C)Cc1cccc([C@H]2CCCOC2)n1.CC(C)Cc1cccnc1OC1CCC1.CC(C)Nc1cccnc1OC1CC1.CC(C)Nc1cccnc1OC1CCCCC1.CC(C)Nc1cccnc1OC1CCOCC1.CC(C)Nc1cccnc1OC1COC1.CC(C)Nc1cccnc1O[C@@H]1CCOC1.[2H]C([2H])([2H])Oc1ncc(C)cc1NC(C)C.[2H]C([2H])([2H])Oc1ncc(F)cc1NC(C)C.[2H]C([2H])([2H])Oc1ncccc1NC(C)C.
What is the InChIKey of N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine?
The InChIKey is VKFOIYNOYOIGHS-AQHPRPEMSA-N. The full InChI is InChI=1S/C14H22N2O.3C14H21NO.C13H20N2O2.C13H19NO.C12H18N2O2.C11H16N2O2.C11H14N2O.C11H16N2O.C11H15NO2.C11H15NO.C10H16N2O.C9H13FN2O.C9H14N2O/c1-11(2)16-13-9-6-10-15-14(13)17-12-7-4-3-5-8-12;3*1-11(2)9-13-6-3-7-14(15-13)12-5-4-8-16-10-12;1-10(2)15-12-4-3-7-14-13(12)17-11-5-8-16-9-6-11;1-10(2)9-11-5-4-8-14-13(11)15-12-6-3-7-12;1-9(2)14-11-4-3-6-13-12(11)16-10-5-7-15-8-10;1-8(2)13-10-4-3-5-12-11(10)15-9-6-14-7-9;1-11(2,3)13-8-5-4-6-9-10(8)12-7-14-9;1-8(2)13-10-4-3-7-12-11(10)14-9-5-6-9;1-8(2)7-9-3-4-10-11(12-9)14-6-5-13-10;1-8(2)7-9-3-4-11-10(12-9)5-6-13-11;1-7(2)12-9-5-8(3)6-11-10(9)13-4;1-6(2)12-8-4-7(10)5-11-9(8)13-3;1-7(2)11-8-5-4-6-10-9(8)12-3/h6,9-12,16H,3-5,7-8H2,1-2H3;3*3,6-7,11-12H,4-5,8-10H2,1-2H3;3-4,7,10-11,15H,5-6,8-9H2,1-2H3;4-5,8,10,12H,3,6-7,9H2,1-2H3;3-4,6,9-10,14H,5,7-8H2,1-2H3;3-5,8-9,13H,6-7H2,1-2H3;4-7,13H,1-3H3;3-4,7-9,13H,5-6H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-4,8H,5-7H2,1-2H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-7,11H,1-3H3/t;2*12-;;;;10-;;;;;;;;/m.10...1......../s1/i;;;;;;;;;;;;4D3;2*3D3.
What are the key properties of N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine?
N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine has a molecular weight of 3057.24 g/mol, XLogP of 38.48, 50 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-benzoxazol-4-amine;2-cyclobutyloxy-3-(2-methylpropyl)pyridine;2-cyclohexyloxy-N-propan-2-ylpyridin-3-amine;2-cyclopropyloxy-N-propan-2-ylpyridin-3-amine;5-fluoro-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;5-methyl-N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine;6-(2-methylpropyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;5-(2-methylpropyl)-2,3-dihydrofuro[3,2-b]pyridine;2-(2-methylpropyl)-6-(oxan-3-yl)pyridine;2-(2-methylpropyl)-6-[(3R)-oxan-3-yl]pyridine;2-(2-methylpropyl)-6-[(3S)-oxan-3-yl]pyridine;2-(oxan-4-yloxy)-N-propan-2-ylpyridin-3-amine;2-(oxetan-3-yloxy)-N-propan-2-ylpyridin-3-amine;2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine;N-propan-2-yl-2-(trideuteriomethoxy)pyridin-3-amine is sourced from PubChem (CID 161321697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).