(2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine

C126H196Cl2F3N21O10S — CID 164961496

IUPAC(2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C1=NC2CCOCC2=C1.C=C(N[C@H](C)C(C)C)c1ccon1.C=C(N[C@H](C)C(C)C)c1cncs1.C=C(N[C@H](C)C(C)C)c1cnn(CC)c1.C=C(N[C@H](C)C(C)C)c1cocn1.C=C(N[C@H](C)C(C)C)c1ncco1.CC(C)[C@@H](C)NC(=O)C1(COC(C)(F)F)CC1.CC(C)[C@@H](C)NC(=O)c1ccnc(Cl)c1.Cc1cc(C(=O)N[C@H](C)C(C)C)cc(Cl)n1.Cc1cc(F)ccc1C(=O)N[C@H](C)C(C)C.Cc1cnccc1C(=O)N[C@H](C)C(C)C
InChIInChI=1S/C14H22N2O.C13H18FNO.C12H17ClN2O.C12H21F2NO2.C12H21N3.C12H18N2O.C11H15ClN2O.3C10H16N2O.C10H16N2S/c1-9(2)10(3)15-11(4)14-7-12-8-17-6-5-13(12)16-14;1-8(2)10(4)15-13(16)12-6-5-11(14)7-9(12)3;1-7(2)9(4)15-12(16)10-5-8(3)14-11(13)6-10;1-8(2)9(3)15-10(16)12(5-6-12)7-17-11(4,13)14;1-6-15-8-12(7-13-15)11(5)14-10(4)9(2)3;1-8(2)10(4)14-12(15)11-5-6-13-7-9(11)3;1-7(2)8(3)14-11(15)9-4-5-13-10(12)6-9;1-7(2)8(3)12-9(4)10-5-13-6-11-10;1-7(2)8(3)12-9(4)10-11-5-6-13-10;1-7(2)8(3)11-9(4)10-5-6-13-12-10;1-7(2)8(3)12-9(4)10-5-11-6-13-10/h7,9-10,13,15H,4-6,8H2,1-3H3;5-8,10H,1-4H3,(H,15,16);5-7,9H,1-4H3,(H,15,16);8-9H,5-7H2,1-4H3,(H,15,16);7-10,14H,5-6H2,1-4H3;5-8,10H,1-4H3,(H,14,15);4-8H,1-3H3,(H,14,15);2*5-8,12H,4H2,1-3H3;5-8,11H,4H2,1-3H3;5-8,12H,4H2,1-3H3/t10-,13?;10-;2*9-;2*10-;5*8-/m11111111111/s1
InChIKeyBXCWKXFYOOBPSX-HORUEXJDSA-N
MW2325.06 g/mol
LogP27.35
Rot. Bonds43

About (2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine

(2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine (PubChem CID 164961496) has the molecular formula C126H196Cl2F3N21O10S and a molecular weight of 2325.06 g/mol. Its IUPAC name is (2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine
PubChem CID164961496
Molecular FormulaC126H196Cl2F3N21O10S
Molecular Weight2325.06 g/mol
Exact Mass2322.45
IUPAC Name(2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C1=NC2CCOCC2=C1.C=C(N[C@H](C)C(C)C)c1ccon1.C=C(N[C@H](C)C(C)C)c1cncs1.C=C(N[C@H](C)C(C)C)c1cnn(CC)c1.C=C(N[C@H](C)C(C)C)c1cocn1.C=C(N[C@H](C)C(C)C)c1ncco1.CC(C)[C@@H](C)NC(=O)C1(COC(C)(F)F)CC1.CC(C)[C@@H](C)NC(=O)c1ccnc(Cl)c1.Cc1cc(C(=O)N[C@H](C)C(C)C)cc(Cl)n1.Cc1cc(F)ccc1C(=O)N[C@H](C)C(C)C.Cc1cnccc1C(=O)N[C@H](C)C(C)C
InChIInChI=1S/C14H22N2O.C13H18FNO.C12H17ClN2O.C12H21F2NO2.C12H21N3.C12H18N2O.C11H15ClN2O.3C10H16N2O.C10H16N2S/c1-9(2)10(3)15-11(4)14-7-12-8-17-6-5-13(12)16-14;1-8(2)10(4)15-13(16)12-6-5-11(14)7-9(12)3;1-7(2)9(4)15-12(16)10-5-8(3)14-11(13)6-10;1-8(2)9(3)15-10(16)12(5-6-12)7-17-11(4,13)14;1-6-15-8-12(7-13-15)11(5)14-10(4)9(2)3;1-8(2)10(4)14-12(15)11-5-6-13-7-9(11)3;1-7(2)8(3)14-11(15)9-4-5-13-10(12)6-9;1-7(2)8(3)12-9(4)10-5-13-6-11-10;1-7(2)8(3)12-9(4)10-11-5-6-13-10;1-7(2)8(3)11-9(4)10-5-6-13-12-10;1-7(2)8(3)12-9(4)10-5-11-6-13-10/h7,9-10,13,15H,4-6,8H2,1-3H3;5-8,10H,1-4H3,(H,15,16);5-7,9H,1-4H3,(H,15,16);8-9H,5-7H2,1-4H3,(H,15,16);7-10,14H,5-6H2,1-4H3;5-8,10H,1-4H3,(H,14,15);4-8H,1-3H3,(H,14,15);2*5-8,12H,4H2,1-3H3;5-8,11H,4H2,1-3H3;5-8,12H,4H2,1-3H3/t10-,13?;10-;2*9-;2*10-;5*8-/m11111111111/s1
InChIKeyBXCWKXFYOOBPSX-HORUEXJDSA-N
XLogP27.35
TPSA395.97 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds43
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002325.06
LogP ≤ 527.35
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

CID 165056310
CID 165056310
CID 165103010
CID 165103010
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-(6-methyl-3-pyridinyl)-5-propan-2-yl-1,3,4-thiadiazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
CID 161277796
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
CID 164956293
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;3-(methoxymethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-4-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
CID 165010189

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine?
The IUPAC name of (2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine (CID 164961496) is (2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine?
The canonical SMILES for (2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine is C=C(N[C@H](C)C(C)C)C1=NC2CCOCC2=C1.C=C(N[C@H](C)C(C)C)c1ccon1.C=C(N[C@H](C)C(C)C)c1cncs1.C=C(N[C@H](C)C(C)C)c1cnn(CC)c1.C=C(N[C@H](C)C(C)C)c1cocn1.C=C(N[C@H](C)C(C)C)c1ncco1.CC(C)[C@@H](C)NC(=O)C1(COC(C)(F)F)CC1.CC(C)[C@@H](C)NC(=O)c1ccnc(Cl)c1.Cc1cc(C(=O)N[C@H](C)C(C)C)cc(Cl)n1.Cc1cc(F)ccc1C(=O)N[C@H](C)C(C)C.Cc1cnccc1C(=O)N[C@H](C)C(C)C.
What is the InChIKey of (2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine?
The InChIKey is BXCWKXFYOOBPSX-HORUEXJDSA-N. The full InChI is InChI=1S/C14H22N2O.C13H18FNO.C12H17ClN2O.C12H21F2NO2.C12H21N3.C12H18N2O.C11H15ClN2O.3C10H16N2O.C10H16N2S/c1-9(2)10(3)15-11(4)14-7-12-8-17-6-5-13(12)16-14;1-8(2)10(4)15-13(16)12-6-5-11(14)7-9(12)3;1-7(2)9(4)15-12(16)10-5-8(3)14-11(13)6-10;1-8(2)9(3)15-10(16)12(5-6-12)7-17-11(4,13)14;1-6-15-8-12(7-13-15)11(5)14-10(4)9(2)3;1-8(2)10(4)14-12(15)11-5-6-13-7-9(11)3;1-7(2)8(3)14-11(15)9-4-5-13-10(12)6-9;1-7(2)8(3)12-9(4)10-5-13-6-11-10;1-7(2)8(3)12-9(4)10-11-5-6-13-10;1-7(2)8(3)11-9(4)10-5-6-13-12-10;1-7(2)8(3)12-9(4)10-5-11-6-13-10/h7,9-10,13,15H,4-6,8H2,1-3H3;5-8,10H,1-4H3,(H,15,16);5-7,9H,1-4H3,(H,15,16);8-9H,5-7H2,1-4H3,(H,15,16);7-10,14H,5-6H2,1-4H3;5-8,10H,1-4H3,(H,14,15);4-8H,1-3H3,(H,14,15);2*5-8,12H,4H2,1-3H3;5-8,11H,4H2,1-3H3;5-8,12H,4H2,1-3H3/t10-,13?;10-;2*9-;2*10-;5*8-/m11111111111/s1.
What are the key properties of (2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine?
(2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine has a molecular weight of 2325.06 g/mol, XLogP of 27.35, 43 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(4,6,7,7a-tetrahydropyrano[4,3-b]pyrrol-2-yl)ethenyl]-3-methylbutan-2-amine;2-chloro-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;2-chloro-6-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;1-(1,1-difluoroethoxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide;(2R)-N-[1-(1-ethylpyrazol-4-yl)ethenyl]-3-methylbutan-2-amine;4-fluoro-2-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide;3-methyl-N-[(2R)-3-methylbutan-2-yl]pyridine-4-carboxamide;(2R)-3-methyl-N-[1-(1,2-oxazol-3-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-2-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-oxazol-4-yl)ethenyl]butan-2-amine;(2R)-3-methyl-N-[1-(1,3-thiazol-5-yl)ethenyl]butan-2-amine is sourced from PubChem (CID 164961496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).