2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine

C179H371N31O14S — CID 158860737

IUPAC2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine
SMILESCC(=O)CCC(C)C.CC(C)CCC(=O)C(C)C.CC(C)CN(C)C.CC(C)CN(C)CC(=O)N(C)C.CC(C)CN1CC(N2CCOCC2)C1.CC(C)CN1CC(O)C1.CC(C)CN1CCC(C)C1.CC(C)CN1CCCC(=O)C1.CC(C)CN1CCCC1.CC(C)CN1CCCC1C(=O)N(C)C.CC(C)CN1CCN(C)CC1.CC(C)CN1CCN(CCO)CC1.CC(C)CN1CCOCC1.CC(C)CN1C[C@@H](C)O[C@@H](C)C1.CC(C)CNC(=O)c1cnc(N)s1.CC(C)CNCCN1CCOCC1.CC(C)Cn1ccnc1.CC(C)Cn1cnnn1.CCC(=O)CCC(C)C.CCN1CCN(CC(C)C)CC1.COC1CN(CC(C)C)C1
InChIInChI=1S/2C11H22N2O.2C10H22N2O.C10H22N2.C10H21NO.C9H20N2O.C9H20N2.C9H17NO.C9H19N.C9H18O.C8H13N3OS.2C8H17NO.C8H17N.C8H16O.C7H12N2.C7H15NO.C7H14O.C6H15N.C5H10N4/c1-10(2)7-12-8-11(9-12)13-3-5-14-6-4-13;1-9(2)8-13-7-5-6-10(13)11(14)12(3)4;1-10(2)9-12-5-3-11(4-6-12)7-8-13;1-10(2)9-11-3-4-12-5-7-13-8-6-12;1-4-11-5-7-12(8-6-11)9-10(2)3;1-8(2)5-11-6-9(3)12-10(4)7-11;1-8(2)6-11(5)7-9(12)10(3)4;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-10-5-3-4-9(11)7-10;1-8(2)6-10-5-4-9(3)7-10;1-7(2)5-6-9(10)8(3)4;1-5(2)3-10-7(12)6-4-11-8(9)13-6;1-7(2)4-9-5-8(6-9)10-3;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;1-4-8(9)6-5-7(2)3;1-7(2)5-9-4-3-8-6-9;1-6(2)3-8-4-7(9)5-8;1-6(2)4-5-7(3)8;1-6(2)5-7(3)4;1-5(2)3-9-4-6-7-8-9/h10-11H,3-9H2,1-2H3;9-10H,5-8H2,1-4H3;10,13H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;10H,4-9H2,1-3H3;8-10H,5-7H2,1-4H3;8H,6-7H2,1-5H3;9H,4-8H2,1-3H3;8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7-8H,5-6H2,1-4H3;4-5H,3H2,1-2H3,(H2,9,11)(H,10,12);7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,4-6H2,1-3H3;3-4,6-7H,5H2,1-2H3;6-7,9H,3-5H2,1-2H3;6H,4-5H2,1-3H3;6H,5H2,1-4H3;4-5H,3H2,1-2H3/t;;;;;9-,10+;;;;;;;;;;;;;;;
InChIKeyJAPTVHKVKTZOMN-BCWYWDKJSA-N
MW3214.21 g/mol
LogP25.79
Rot. Bonds59

About 2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine

2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine (PubChem CID 158860737) has the molecular formula C179H371N31O14S and a molecular weight of 3214.21 g/mol. Its IUPAC name is 2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine
PubChem CID158860737
Molecular FormulaC179H371N31O14S
Molecular Weight3214.21 g/mol
Exact Mass3211.90
IUPAC Name2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine
SMILESCC(=O)CCC(C)C.CC(C)CCC(=O)C(C)C.CC(C)CN(C)C.CC(C)CN(C)CC(=O)N(C)C.CC(C)CN1CC(N2CCOCC2)C1.CC(C)CN1CC(O)C1.CC(C)CN1CCC(C)C1.CC(C)CN1CCCC(=O)C1.CC(C)CN1CCCC1.CC(C)CN1CCCC1C(=O)N(C)C.CC(C)CN1CCN(C)CC1.CC(C)CN1CCN(CCO)CC1.CC(C)CN1CCOCC1.CC(C)CN1C[C@@H](C)O[C@@H](C)C1.CC(C)CNC(=O)c1cnc(N)s1.CC(C)CNCCN1CCOCC1.CC(C)Cn1ccnc1.CC(C)Cn1cnnn1.CCC(=O)CCC(C)C.CCN1CCN(CC(C)C)CC1.COC1CN(CC(C)C)C1
InChIInChI=1S/2C11H22N2O.2C10H22N2O.C10H22N2.C10H21NO.C9H20N2O.C9H20N2.C9H17NO.C9H19N.C9H18O.C8H13N3OS.2C8H17NO.C8H17N.C8H16O.C7H12N2.C7H15NO.C7H14O.C6H15N.C5H10N4/c1-10(2)7-12-8-11(9-12)13-3-5-14-6-4-13;1-9(2)8-13-7-5-6-10(13)11(14)12(3)4;1-10(2)9-12-5-3-11(4-6-12)7-8-13;1-10(2)9-11-3-4-12-5-7-13-8-6-12;1-4-11-5-7-12(8-6-11)9-10(2)3;1-8(2)5-11-6-9(3)12-10(4)7-11;1-8(2)6-11(5)7-9(12)10(3)4;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-10-5-3-4-9(11)7-10;1-8(2)6-10-5-4-9(3)7-10;1-7(2)5-6-9(10)8(3)4;1-5(2)3-10-7(12)6-4-11-8(9)13-6;1-7(2)4-9-5-8(6-9)10-3;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;1-4-8(9)6-5-7(2)3;1-7(2)5-9-4-3-8-6-9;1-6(2)3-8-4-7(9)5-8;1-6(2)4-5-7(3)8;1-6(2)5-7(3)4;1-5(2)3-9-4-6-7-8-9/h10-11H,3-9H2,1-2H3;9-10H,5-8H2,1-4H3;10,13H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;10H,4-9H2,1-3H3;8-10H,5-7H2,1-4H3;8H,6-7H2,1-5H3;9H,4-8H2,1-3H3;8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7-8H,5-6H2,1-4H3;4-5H,3H2,1-2H3,(H2,9,11)(H,10,12);7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,4-6H2,1-3H3;3-4,6-7H,5H2,1-2H3;6-7,9H,3-5H2,1-2H3;6H,4-5H2,1-3H3;6H,5H2,1-4H3;4-5H,3H2,1-2H3/t;;;;;9-,10+;;;;;;;;;;;;;;;
InChIKeyJAPTVHKVKTZOMN-BCWYWDKJSA-N
XLogP25.79
TPSA398.53 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds59
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003214.21
LogP ≤ 525.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine with MolForge

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Related Compounds

tert-butyl 4-methylpentanoate;ethyl 2,5-dimethylhexanoate;1-ethyl-4-(2-methylpropyl)piperazine;(2S)-2-hydroxy-6-methylheptan-3-one;1-methoxy-5-methylhexane;2-methylbutane;5-methylhexan-1-ol;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-N-(2-methylpropyl)piperidin-4-amine;2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;3-methyl-1-methylsulfonylbutane;4-methylpentanoic acid;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one
CID 157050698
N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;2,2-difluoro-3-methylbutane;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;N,N-dimethyl-2-(propan-2-ylamino)cyclopentane-1-carboxamide;2-methylbutane;3-methylbutan-1-ol;4-(3-methylbutyl)morpholine;4-methyl-1-(2-methylpropyl)imidazole;3-methyl-1-(2-methylpropyl)pyrrolidine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)pyrrolidine;propan-2-ylcyclopropane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-1,2,4-triazole;2,2,3-trimethylbutane;N,N,2-trimethylpropan-1-amine
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N,N-diethyl-2-methylpropan-1-amine;3,3-difluoro-1-(2-methylpropyl)azetidine;4,4-difluoro-1-(2-methylpropyl)piperidine;3-fluoro-1-(2-methylpropyl)azetidine;4-fluoro-1-(2-methylpropyl)piperidine;2-(2-methoxyethoxy)propane;2-methoxypropane;3-methyl-1-(2-methylpropyl)azetidin-3-ol;1-methyl-4-(2-methylpropyl)piperazine;2-methylpropan-1-ol;1-(2-methylpropyl)azetidine;1-(2-methylpropyl)azetidin-3-ol;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;1-(2-methylpropyl)pyrrole;4-(propan-2-yloxymethyl)oxane;N,N,2-trimethylpropan-1-amine
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N-[2-(dimethylamino)ethyl]acetamide;1,3-dimethylazetidine;1,4-dimethylpiperidine;bis(N-ethylacetamide);N-ethylcyclopropanamine;(2S)-1-ethyl-2,4-dimethylpiperazine;(2R)-4-ethyl-1,2-dimethylpiperazine;(2S)-4-ethyl-1,2-dimethylpiperazine;1-ethylimidazole;1-ethylimidazolidine-2,4-dione;1-ethylimidazolidin-2-one;4-ethylmorpholine;4-ethylmorpholin-3-one;4-ethyloxane;4-ethylpiperazin-2-one;4-ethylpyridine;1-ethylpyrrolidin-2-one;[(2R)-1-ethylpyrrolidin-2-yl]methanol;5-ethyl-2,4,6,7-tetrahydro-1H-triazolo[1,5-a]pyrazine;4-ethyl-1,4-thiazinane 1,1-dioxide;(2S,5S)-1-ethyl-2,4,5-trimethylpiperazine;2-hydroxy-1-(3-methylazetidin-1-yl)ethanone;2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;N-methylacetamide;1-(3-methylazetidin-1-yl)ethanone;methylcyclobutane;4-methylcyclohexan-1-ol;methylcyclopropane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;1-(4-methylpiperidin-1-yl)ethanone;N-propan-2-ylacetamide
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N,N-diethylpropan-2-amine;N,2-dimethylpropanamide;N,N-dimethylpropan-2-amine;2,6-dimethyl-4-propan-2-ylmorpholine;2-ethoxypropane;N-ethyl-N-(2-methoxyethyl)propan-2-amine;N-ethyl-N-methylpropan-2-amine;ethyl 2-methylpropanoate;3-ethyl-1-propan-2-ylpyrrolidine;N-(2-methoxyethyl)-N-methylpropan-2-amine;1-methoxy-2-methylpropane;4-methoxy-1-propan-2-ylpiperidine;3-methoxy-1-propan-2-ylpyrrolidine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methylpropane;2-methylpropanoic acid;2-methylpropan-1-ol;2-[methyl(propan-2-yl)amino]ethanol;3-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;2-methylpropylcyclopropane;4-(2-methylpropyl)morpholine;propan-2-ol;4-propan-2-ylmorpholine;propan-2-yloxymethylcyclopropane;2-propan-2-yloxypropane;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-3-one;1-propan-2-ylpyrrolidin-3-amine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol;1,1,1-trifluoro-2-methylpropane
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N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide
CID 98720786
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-cyclopentyloxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(oxan-4-yloxy)benzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[(7R)-8-cyclopentyl-5-methyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 158461509

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine?
The IUPAC name of 2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine (CID 158860737) is 2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine is CC(=O)CCC(C)C.CC(C)CCC(=O)C(C)C.CC(C)CN(C)C.CC(C)CN(C)CC(=O)N(C)C.CC(C)CN1CC(N2CCOCC2)C1.CC(C)CN1CC(O)C1.CC(C)CN1CCC(C)C1.CC(C)CN1CCCC(=O)C1.CC(C)CN1CCCC1.CC(C)CN1CCCC1C(=O)N(C)C.CC(C)CN1CCN(C)CC1.CC(C)CN1CCN(CCO)CC1.CC(C)CN1CCOCC1.CC(C)CN1C[C@@H](C)O[C@@H](C)C1.CC(C)CNC(=O)c1cnc(N)s1.CC(C)CNCCN1CCOCC1.CC(C)Cn1ccnc1.CC(C)Cn1cnnn1.CCC(=O)CCC(C)C.CCN1CCN(CC(C)C)CC1.COC1CN(CC(C)C)C1.
What is the InChIKey of 2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine?
The InChIKey is JAPTVHKVKTZOMN-BCWYWDKJSA-N. The full InChI is InChI=1S/2C11H22N2O.2C10H22N2O.C10H22N2.C10H21NO.C9H20N2O.C9H20N2.C9H17NO.C9H19N.C9H18O.C8H13N3OS.2C8H17NO.C8H17N.C8H16O.C7H12N2.C7H15NO.C7H14O.C6H15N.C5H10N4/c1-10(2)7-12-8-11(9-12)13-3-5-14-6-4-13;1-9(2)8-13-7-5-6-10(13)11(14)12(3)4;1-10(2)9-12-5-3-11(4-6-12)7-8-13;1-10(2)9-11-3-4-12-5-7-13-8-6-12;1-4-11-5-7-12(8-6-11)9-10(2)3;1-8(2)5-11-6-9(3)12-10(4)7-11;1-8(2)6-11(5)7-9(12)10(3)4;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-10-5-3-4-9(11)7-10;1-8(2)6-10-5-4-9(3)7-10;1-7(2)5-6-9(10)8(3)4;1-5(2)3-10-7(12)6-4-11-8(9)13-6;1-7(2)4-9-5-8(6-9)10-3;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;1-4-8(9)6-5-7(2)3;1-7(2)5-9-4-3-8-6-9;1-6(2)3-8-4-7(9)5-8;1-6(2)4-5-7(3)8;1-6(2)5-7(3)4;1-5(2)3-9-4-6-7-8-9/h10-11H,3-9H2,1-2H3;9-10H,5-8H2,1-4H3;10,13H,3-9H2,1-2H3;10-11H,3-9H2,1-2H3;10H,4-9H2,1-3H3;8-10H,5-7H2,1-4H3;8H,6-7H2,1-5H3;9H,4-8H2,1-3H3;8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7-8H,5-6H2,1-4H3;4-5H,3H2,1-2H3,(H2,9,11)(H,10,12);7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,4-6H2,1-3H3;3-4,6-7H,5H2,1-2H3;6-7,9H,3-5H2,1-2H3;6H,4-5H2,1-3H3;6H,5H2,1-4H3;4-5H,3H2,1-2H3/t;;;;;9-,10+;;;;;;;;;;;;;;;.
What are the key properties of 2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine?
2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine has a molecular weight of 3214.21 g/mol, XLogP of 25.79, 59 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;2,6-dimethylheptan-3-one;N,N-dimethyl-2-[methyl(2-methylpropyl)amino]acetamide;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;N,N-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;6-methylheptan-3-one;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-1-(2-methylpropyl)pyrrolidine;2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)tetrazole;N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 158860737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).