2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine

C178H296N32O8S8 — CID 158868413

IUPAC2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine
SMILESC=C(N)CNC.CC.CC.CCCCNC.CNC1CCCCC1.CNCC(=O)Cc1ccccc1.CNCC(C)C.CNCC1=NC=CC1.CNCC1C(=O)Nc2ccccc21.CNCC1CCCCC1.CNCCC(=O)NC.CNCCC(=O)Nc1ccccc1.CNCCS(=O)(=O)Cc1ccccc1.CNCCS(=O)Cc1ccccc1.CNCCc1cccs1.CNCCc1nccs1.CNCc1ccc(C)cc1.CNCc1ccc(C)cc1.CNCc1ccc(C)s1.CNCc1ccccc1.CNCc1ccccn1.CNCc1ccco1.CNCc1cccs1.CNCc1nccs1.CNCc1sccc1C.CNc1ccccc1
InChIInChI=1S/C10H12N2O.C10H14N2O.C10H15NO2S.C10H15NOS.C10H13NO.2C9H13N.C8H17N.C8H11N.C7H10N2.3C7H11NS.C7H15N.C7H9N.C6H10N2S.C6H10N2.C6H9NO.C6H9NS.C5H12N2O.C5H8N2S.2C5H13N.C4H10N2.2C2H6/c1-11-6-8-7-4-2-3-5-9(7)12-10(8)13;1-11-8-7-10(13)12-9-5-3-2-4-6-9;1-11-7-8-14(12,13)9-10-5-3-2-4-6-10;1-11-7-8-13(12)9-10-5-3-2-4-6-10;1-11-8-10(12)7-9-5-3-2-4-6-9;2*1-8-3-5-9(6-4-8)7-10-2;2*1-9-7-8-5-3-2-4-6-8;1-8-6-7-4-2-3-5-9-7;1-6-3-4-9-7(6)5-8-2;1-6-3-4-7(9-6)5-8-2;1-8-5-4-7-3-2-6-9-7;2*1-8-7-5-3-2-4-6-7;1-7-3-2-6-8-4-5-9-6;3*1-7-5-6-3-2-4-8-6;1-6-4-3-5(8)7-2;1-6-4-5-7-2-3-8-5;1-5(2)4-6-3;1-3-4-5-6-2;1-4(5)3-6-2;2*1-2/h2-5,8,11H,6H2,1H3,(H,12,13);2-6,11H,7-8H2,1H3,(H,12,13);2-6,11H,7-9H2,1H3;2-6,11H,7-9H2,1H3;2-6,11H,7-8H2,1H3;2*3-6,10H,7H2,1-2H3;8-9H,2-7H2,1H3;2-6,9H,7H2,1H3;2-5,8H,6H2,1H3;2*3-4,8H,5H2,1-2H3;2-3,6,8H,4-5H2,1H3;7-8H,2-6H2,1H3;2-6,8H,1H3;4-5,7H,2-3H2,1H3;2,4,7H,3,5H2,1H3;2*2-4,7H,5H2,1H3;6H,3-4H2,1-2H3,(H,7,8);2-3,6H,4H2,1H3;5-6H,4H2,1-3H3;6H,3-5H2,1-2H3;6H,1,3,5H2,2H3;2*1-2H3
InChIKeyJBNQDJAAPJRDAP-UHFFFAOYSA-N
MW3269.08 g/mol
LogP28.66
Rot. Bonds60

About 2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine

2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 158868413) has the molecular formula C178H296N32O8S8 and a molecular weight of 3269.08 g/mol. Its IUPAC name is 2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine
PubChem CID158868413
Molecular FormulaC178H296N32O8S8
Molecular Weight3269.08 g/mol
Exact Mass3266.15
IUPAC Name2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine
SMILESC=C(N)CNC.CC.CC.CCCCNC.CNC1CCCCC1.CNCC(=O)Cc1ccccc1.CNCC(C)C.CNCC1=NC=CC1.CNCC1C(=O)Nc2ccccc21.CNCC1CCCCC1.CNCCC(=O)NC.CNCCC(=O)Nc1ccccc1.CNCCS(=O)(=O)Cc1ccccc1.CNCCS(=O)Cc1ccccc1.CNCCc1cccs1.CNCCc1nccs1.CNCc1ccc(C)cc1.CNCc1ccc(C)cc1.CNCc1ccc(C)s1.CNCc1ccccc1.CNCc1ccccn1.CNCc1ccco1.CNCc1cccs1.CNCc1nccs1.CNCc1sccc1C.CNc1ccccc1
InChIInChI=1S/C10H12N2O.C10H14N2O.C10H15NO2S.C10H15NOS.C10H13NO.2C9H13N.C8H17N.C8H11N.C7H10N2.3C7H11NS.C7H15N.C7H9N.C6H10N2S.C6H10N2.C6H9NO.C6H9NS.C5H12N2O.C5H8N2S.2C5H13N.C4H10N2.2C2H6/c1-11-6-8-7-4-2-3-5-9(7)12-10(8)13;1-11-8-7-10(13)12-9-5-3-2-4-6-9;1-11-7-8-14(12,13)9-10-5-3-2-4-6-10;1-11-7-8-13(12)9-10-5-3-2-4-6-10;1-11-8-10(12)7-9-5-3-2-4-6-9;2*1-8-3-5-9(6-4-8)7-10-2;2*1-9-7-8-5-3-2-4-6-8;1-8-6-7-4-2-3-5-9-7;1-6-3-4-9-7(6)5-8-2;1-6-3-4-7(9-6)5-8-2;1-8-5-4-7-3-2-6-9-7;2*1-8-7-5-3-2-4-6-7;1-7-3-2-6-8-4-5-9-6;3*1-7-5-6-3-2-4-8-6;1-6-4-3-5(8)7-2;1-6-4-5-7-2-3-8-5;1-5(2)4-6-3;1-3-4-5-6-2;1-4(5)3-6-2;2*1-2/h2-5,8,11H,6H2,1H3,(H,12,13);2-6,11H,7-8H2,1H3,(H,12,13);2-6,11H,7-9H2,1H3;2-6,11H,7-9H2,1H3;2-6,11H,7-8H2,1H3;2*3-6,10H,7H2,1-2H3;8-9H,2-7H2,1H3;2-6,9H,7H2,1H3;2-5,8H,6H2,1H3;2*3-4,8H,5H2,1-2H3;2-3,6,8H,4-5H2,1H3;7-8H,2-6H2,1H3;2-6,8H,1H3;4-5,7H,2-3H2,1H3;2,4,7H,3,5H2,1H3;2*2-4,7H,5H2,1H3;6H,3-4H2,1-2H3,(H,7,8);2-3,6H,4H2,1H3;5-6H,4H2,1-3H3;6H,3-5H2,1-2H3;6H,1,3,5H2,2H3;2*1-2H3
InChIKeyJBNQDJAAPJRDAP-UHFFFAOYSA-N
XLogP28.66
TPSA534.49 Ų
H-Bond Donors28
H-Bond Acceptors43
Rotatable Bonds60
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003269.08
LogP ≤ 528.66
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine 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

17,26-Dimethyl-20,23-dioxa-4,14,17,26,29-pentazahexacyclo[27.6.1.17,14.02,6.08,13.030,35]heptatriaconta-1(36),2(6),7(37),8,10,12,30,32,34-nonaene-3,5-dione;17,20-dimethyl-4,14,17,20,23-pentazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione;23-(furan-2-ylmethyl)-17,20-dioxa-4,14,23,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione;23-(thiophen-2-ylmethyl)-17,20-dioxa-4,14,23,26-tetrazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione
CID 158241653
3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-4-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide
CID 158451463
4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1lambda6,4-benzothiazine 1,1-dioxide;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;2-methyl-3,4-dihydro-1H-2,7-naphthyridine;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;1-methyl-2H-quinoline;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 158816245
3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole
CID 159141217
(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hexahydrochloride
CID 160669954
2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one
CID 164961913
4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 164968569

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine (CID 158868413) is 2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine is C=C(N)CNC.CC.CC.CCCCNC.CNC1CCCCC1.CNCC(=O)Cc1ccccc1.CNCC(C)C.CNCC1=NC=CC1.CNCC1C(=O)Nc2ccccc21.CNCC1CCCCC1.CNCCC(=O)NC.CNCCC(=O)Nc1ccccc1.CNCCS(=O)(=O)Cc1ccccc1.CNCCS(=O)Cc1ccccc1.CNCCc1cccs1.CNCCc1nccs1.CNCc1ccc(C)cc1.CNCc1ccc(C)cc1.CNCc1ccc(C)s1.CNCc1ccccc1.CNCc1ccccn1.CNCc1ccco1.CNCc1cccs1.CNCc1nccs1.CNCc1sccc1C.CNc1ccccc1.
What is the InChIKey of 2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is JBNQDJAAPJRDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C10H14N2O.C10H15NO2S.C10H15NOS.C10H13NO.2C9H13N.C8H17N.C8H11N.C7H10N2.3C7H11NS.C7H15N.C7H9N.C6H10N2S.C6H10N2.C6H9NO.C6H9NS.C5H12N2O.C5H8N2S.2C5H13N.C4H10N2.2C2H6/c1-11-6-8-7-4-2-3-5-9(7)12-10(8)13;1-11-8-7-10(13)12-9-5-3-2-4-6-9;1-11-7-8-14(12,13)9-10-5-3-2-4-6-10;1-11-7-8-13(12)9-10-5-3-2-4-6-10;1-11-8-10(12)7-9-5-3-2-4-6-9;2*1-8-3-5-9(6-4-8)7-10-2;2*1-9-7-8-5-3-2-4-6-8;1-8-6-7-4-2-3-5-9-7;1-6-3-4-9-7(6)5-8-2;1-6-3-4-7(9-6)5-8-2;1-8-5-4-7-3-2-6-9-7;2*1-8-7-5-3-2-4-6-7;1-7-3-2-6-8-4-5-9-6;3*1-7-5-6-3-2-4-8-6;1-6-4-3-5(8)7-2;1-6-4-5-7-2-3-8-5;1-5(2)4-6-3;1-3-4-5-6-2;1-4(5)3-6-2;2*1-2/h2-5,8,11H,6H2,1H3,(H,12,13);2-6,11H,7-8H2,1H3,(H,12,13);2-6,11H,7-9H2,1H3;2-6,11H,7-9H2,1H3;2-6,11H,7-8H2,1H3;2*3-6,10H,7H2,1-2H3;8-9H,2-7H2,1H3;2-6,9H,7H2,1H3;2-5,8H,6H2,1H3;2*3-4,8H,5H2,1-2H3;2-3,6,8H,4-5H2,1H3;7-8H,2-6H2,1H3;2-6,8H,1H3;4-5,7H,2-3H2,1H3;2,4,7H,3,5H2,1H3;2*2-4,7H,5H2,1H3;6H,3-4H2,1-2H3,(H,7,8);2-3,6H,4H2,1H3;5-6H,4H2,1-3H3;6H,3-5H2,1-2H3;6H,1,3,5H2,2H3;2*1-2H3.
What are the key properties of 2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine?
2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 3269.08 g/mol, XLogP of 28.66, 60 rotatable bonds, 28 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-N-methylethanamine;2-benzylsulfonyl-N-methylethanamine;1-cyclohexyl-N-methylmethanamine;N,2-dimethylpropan-1-amine;ethane;1-(furan-2-yl)-N-methylmethanamine;3-(methylaminomethyl)-1,3-dihydroindol-2-one;3-(methylamino)-N-phenylpropanamide;1-(methylamino)-3-phenylpropan-2-one;N-methylaniline;N-methylbutan-1-amine;N-methylcyclohexanamine;N-methyl-3-(methylamino)propanamide;bis(N-methyl-1-(4-methylphenyl)methanamine);N-methyl-1-(3-methylthiophen-2-yl)methanamine;N-methyl-1-(5-methylthiophen-2-yl)methanamine;N-methyl-1-phenylmethanamine;1-N-methylprop-2-ene-1,2-diamine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-(3H-pyrrol-2-yl)methanamine;N-methyl-2-(1,3-thiazol-2-yl)ethanamine;N-methyl-1-(1,3-thiazol-2-yl)methanamine;N-methyl-2-thiophen-2-ylethanamine;N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 158868413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).