1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole

C173H270F3N17O14S — CID 158318211

IUPAC1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole
SMILESC.C.C.CC(C)COC/C=C/c1ccccc1.CC(C)COC1CCN(Cc2ccccc2)C1.CC(C)COCCCc1cccnc1.CC(C)COCCCn1cccc1.CC(C)COCCc1ccccn1.CC(C)COCCn1cccc1.CC(C)COCc1ccc(-c2ccccc2)cc1.CC(C)COCc1ccc(-n2ccnc2)cc1.CC(C)COCc1ccc(C(F)(F)F)nc1.CC(C)COCc1ccc(N2CCCC2)nc1.CC(C)COCc1cccnc1N1CCCCC1.CC(C)COCc1cn(C)cn1.CC(C)COCc1nccs1.Cc1cc(COCC(C)C)nn1C
InChIInChI=1S/C17H20O.C15H24N2O.C15H23NO.C14H18N2O.C14H22N2O.C13H18O.C12H19NO.C11H14F3NO.C11H19NO.C11H17NO.C10H18N2O.C10H17NO.C9H16N2O.C8H13NOS.3CH4/c1-14(2)12-18-13-15-8-10-17(11-9-15)16-6-4-3-5-7-16;1-13(2)11-18-12-14-7-6-8-16-15(14)17-9-4-3-5-10-17;1-13(2)12-17-15-8-9-16(11-15)10-14-6-4-3-5-7-14;1-12(2)9-17-10-13-3-5-14(6-4-13)16-8-7-15-11-16;1-12(2)10-17-11-13-5-6-14(15-9-13)16-7-3-4-8-16;1-12(2)11-14-10-6-9-13-7-4-3-5-8-13;1-11(2)10-14-8-4-6-12-5-3-7-13-9-12;1-8(2)6-16-7-9-3-4-10(15-5-9)11(12,13)14;1-11(2)10-13-9-5-8-12-6-3-4-7-12;1-10(2)9-13-8-6-11-5-3-4-7-12-11;1-8(2)6-13-7-10-5-9(3)12(4)11-10;1-10(2)9-12-8-7-11-5-3-4-6-11;1-8(2)5-12-6-9-4-11(3)7-10-9;1-7(2)5-10-6-8-9-3-4-11-8;;;/h3-11,14H,12-13H2,1-2H3;6-8,13H,3-5,9-12H2,1-2H3;3-7,13,15H,8-12H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;5-6,9,12H,3-4,7-8,10-11H2,1-2H3;3-9,12H,10-11H2,1-2H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-4,6-7,11H,5,8-10H2,1-2H3;3-5,7,10H,6,8-9H2,1-2H3;5,8H,6-7H2,1-4H3;3-6,10H,7-9H2,1-2H3;4,7-8H,5-6H2,1-3H3;3-4,7H,5-6H2,1-2H3;3*1H4/b;;;;;9-6+;;;;;;;;;;;
InChIKeyGONIMNVADDODJT-XLORKCRMSA-N
MW2901.23 g/mol
LogP40.66
Rot. Bonds68

About 1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole

1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole (PubChem CID 158318211) has the molecular formula C173H270F3N17O14S and a molecular weight of 2901.23 g/mol. Its IUPAC name is 1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole.

Molecular Properties

Compound Name1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole
PubChem CID158318211
Molecular FormulaC173H270F3N17O14S
Molecular Weight2901.23 g/mol
Exact Mass2899.06
IUPAC Name1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole
SMILESC.C.C.CC(C)COC/C=C/c1ccccc1.CC(C)COC1CCN(Cc2ccccc2)C1.CC(C)COCCCc1cccnc1.CC(C)COCCCn1cccc1.CC(C)COCCc1ccccn1.CC(C)COCCn1cccc1.CC(C)COCc1ccc(-c2ccccc2)cc1.CC(C)COCc1ccc(-n2ccnc2)cc1.CC(C)COCc1ccc(C(F)(F)F)nc1.CC(C)COCc1ccc(N2CCCC2)nc1.CC(C)COCc1cccnc1N1CCCCC1.CC(C)COCc1cn(C)cn1.CC(C)COCc1nccs1.Cc1cc(COCC(C)C)nn1C
InChIInChI=1S/C17H20O.C15H24N2O.C15H23NO.C14H18N2O.C14H22N2O.C13H18O.C12H19NO.C11H14F3NO.C11H19NO.C11H17NO.C10H18N2O.C10H17NO.C9H16N2O.C8H13NOS.3CH4/c1-14(2)12-18-13-15-8-10-17(11-9-15)16-6-4-3-5-7-16;1-13(2)11-18-12-14-7-6-8-16-15(14)17-9-4-3-5-10-17;1-13(2)12-17-15-8-9-16(11-15)10-14-6-4-3-5-7-14;1-12(2)9-17-10-13-3-5-14(6-4-13)16-8-7-15-11-16;1-12(2)10-17-11-13-5-6-14(15-9-13)16-7-3-4-8-16;1-12(2)11-14-10-6-9-13-7-4-3-5-8-13;1-11(2)10-14-8-4-6-12-5-3-7-13-9-12;1-8(2)6-16-7-9-3-4-10(15-5-9)11(12,13)14;1-11(2)10-13-9-5-8-12-6-3-4-7-12;1-10(2)9-13-8-6-11-5-3-4-7-12-11;1-8(2)6-13-7-10-5-9(3)12(4)11-10;1-10(2)9-12-8-7-11-5-3-4-6-11;1-8(2)5-12-6-9-4-11(3)7-10-9;1-7(2)5-10-6-8-9-3-4-11-8;;;/h3-11,14H,12-13H2,1-2H3;6-8,13H,3-5,9-12H2,1-2H3;3-7,13,15H,8-12H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;5-6,9,12H,3-4,7-8,10-11H2,1-2H3;3-9,12H,10-11H2,1-2H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-4,6-7,11H,5,8-10H2,1-2H3;3-5,7,10H,6,8-9H2,1-2H3;5,8H,6-7H2,1-4H3;3-6,10H,7-9H2,1-2H3;4,7-8H,5-6H2,1-3H3;3-4,7H,5-6H2,1-2H3;3*1H4/b;;;;;9-6+;;;;;;;;;;;
InChIKeyGONIMNVADDODJT-XLORKCRMSA-N
XLogP40.66
TPSA279.60 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds68
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002901.23
LogP ≤ 540.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole with MolForge

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Related Compounds

23-Amino-10-fluoro-17,20-dimethyl-21-oxa-4,6,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,4,8(13),9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;22-amino-5,16,19-trimethyl-20-oxa-9-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8(12),10,13(18),14,16,21,23-decaene-3-carbonitrile;3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;3-ethyl-10,16,19-trimethyl-5-(trifluoromethyl)-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine;3,11,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine
CID 165082106
2,2-Dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyrimidin-5-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-5-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 158040561
2,2-Dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 158589648
N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine
CID 159956640
3-[4-(1,3-Benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;3-[4-[6-(dimethylamino)-3-pyridinyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol
CID 160628991
(3S)-3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;(3S)-3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(3S)-3-[4-[6-(dimethylamino)-3-pyridinyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(3S)-3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;(3S)-3-ethoxy-3-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol
CID 160628992
22-Amino-16,19-dimethyl-20-oxa-4,6,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,10,13(18),14,16,21,23-decaene-3-carbonitrile;23-amino-5,17-dimethyl-21-oxa-4,5,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),3,8(13),9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;22-amino-5,10,16,19-tetramethyl-20-oxa-4,11,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,10,13(18),14,16,21,23-decaene-3-carbonitrile;22-amino-5,10,16,19-tetramethyl-20-oxa-9-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8(12),10,13(18),14,16,21,23-decaene-3-carbonitrile;3-ethyl-9,10,16,19-tetramethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine
CID 164960320
(22-Amino-3-ethyl-16-methyl-20-oxa-3,4,8,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,9,11,13(18),14,16,21,23-decaen-19-yl)methanol;3-(cyclopropylmethyl)-5,17,20-trimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine;3-(2,2-difluoroethyl)-5,10,16,19-tetramethyl-20-oxa-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8,11,13(18),14,16,21,23-decaen-22-amine;3-ethyl-5,10,16-trimethyl-20-oxa-9-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8(12),10,13(18),14,16,21,23-decaen-22-amine;methane
CID 164988679
3-(Cyclopropylmethyl)-10-(difluoromethyl)-5,16-dimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;3-(2,2-difluoroethyl)-16,19-dimethyl-20-oxa-3,4,8,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,9,11,13(18),14,16,21,23-decaen-22-amine;3-ethyl-5,10,16,19-tetramethyl-20-oxa-9-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),3,8(12),10,13(18),14,16,21,23-decaen-22-amine;3-ethyl-11,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),9,13(18),14,16,21,23-decaen-22-amine;3-ethyl-10,16,19-trimethyl-20-oxa-9-thia-3,4,5,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),10,13(18),14,16,21,23-decaen-22-amine
CID 165013186

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole?
The IUPAC name of 1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole (CID 158318211) is 1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole.
What is the SMILES notation for 1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole?
The canonical SMILES for 1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole is C.C.C.CC(C)COC/C=C/c1ccccc1.CC(C)COC1CCN(Cc2ccccc2)C1.CC(C)COCCCc1cccnc1.CC(C)COCCCn1cccc1.CC(C)COCCc1ccccn1.CC(C)COCCn1cccc1.CC(C)COCc1ccc(-c2ccccc2)cc1.CC(C)COCc1ccc(-n2ccnc2)cc1.CC(C)COCc1ccc(C(F)(F)F)nc1.CC(C)COCc1ccc(N2CCCC2)nc1.CC(C)COCc1cccnc1N1CCCCC1.CC(C)COCc1cn(C)cn1.CC(C)COCc1nccs1.Cc1cc(COCC(C)C)nn1C.
What is the InChIKey of 1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole?
The InChIKey is GONIMNVADDODJT-XLORKCRMSA-N. The full InChI is InChI=1S/C17H20O.C15H24N2O.C15H23NO.C14H18N2O.C14H22N2O.C13H18O.C12H19NO.C11H14F3NO.C11H19NO.C11H17NO.C10H18N2O.C10H17NO.C9H16N2O.C8H13NOS.3CH4/c1-14(2)12-18-13-15-8-10-17(11-9-15)16-6-4-3-5-7-16;1-13(2)11-18-12-14-7-6-8-16-15(14)17-9-4-3-5-10-17;1-13(2)12-17-15-8-9-16(11-15)10-14-6-4-3-5-7-14;1-12(2)9-17-10-13-3-5-14(6-4-13)16-8-7-15-11-16;1-12(2)10-17-11-13-5-6-14(15-9-13)16-7-3-4-8-16;1-12(2)11-14-10-6-9-13-7-4-3-5-8-13;1-11(2)10-14-8-4-6-12-5-3-7-13-9-12;1-8(2)6-16-7-9-3-4-10(15-5-9)11(12,13)14;1-11(2)10-13-9-5-8-12-6-3-4-7-12;1-10(2)9-13-8-6-11-5-3-4-7-12-11;1-8(2)6-13-7-10-5-9(3)12(4)11-10;1-10(2)9-12-8-7-11-5-3-4-6-11;1-8(2)5-12-6-9-4-11(3)7-10-9;1-7(2)5-10-6-8-9-3-4-11-8;;;/h3-11,14H,12-13H2,1-2H3;6-8,13H,3-5,9-12H2,1-2H3;3-7,13,15H,8-12H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;5-6,9,12H,3-4,7-8,10-11H2,1-2H3;3-9,12H,10-11H2,1-2H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-4,6-7,11H,5,8-10H2,1-2H3;3-5,7,10H,6,8-9H2,1-2H3;5,8H,6-7H2,1-4H3;3-6,10H,7-9H2,1-2H3;4,7-8H,5-6H2,1-3H3;3-4,7H,5-6H2,1-2H3;3*1H4/b;;;;;9-6+;;;;;;;;;;;.
What are the key properties of 1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole?
1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole has a molecular weight of 2901.23 g/mol, XLogP of 40.66, 68 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methylpropoxy)pyrrolidine;1,5-dimethyl-3-(2-methylpropoxymethyl)pyrazole;methane;1-methyl-4-(2-methylpropoxymethyl)imidazole;2-[2-(2-methylpropoxy)ethyl]pyridine;1-[2-(2-methylpropoxy)ethyl]pyrrole;1-(2-methylpropoxymethyl)-4-phenylbenzene;1-[4-(2-methylpropoxymethyl)phenyl]imidazole;3-(2-methylpropoxymethyl)-2-piperidin-1-ylpyridine;5-(2-methylpropoxymethyl)-2-pyrrolidin-1-ylpyridine;2-(2-methylpropoxymethyl)-1,3-thiazole;5-(2-methylpropoxymethyl)-2-(trifluoromethyl)pyridine;[(E)-3-(2-methylpropoxy)prop-1-enyl]benzene;3-[3-(2-methylpropoxy)propyl]pyridine;1-[3-(2-methylpropoxy)propyl]pyrrole is sourced from PubChem (CID 158318211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).