N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine

C200H406F3N35O3 — CID 160899268

IUPACN-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOC1=O.CC(C)(C)N1CCOCC1.CC(C)(C)NCC(F)F.CC(C)(C)NCC1CC1.CC(C)(C)NCc1cccnc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ncccn1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(N)CNC(C)(C)C.CC(C)NC(C)(C)C.CCCCNC(C)(C)C.CCCNC(C)(C)C.CN(C)C(C)(C)C.CN(C)CCCNC(C)(C)C.CN(C)CCNC(C)(C)C.CN1CCC(NC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC(C)(C)C.Cc1ncc(C(C)(C)C)n1C
InChIInChI=1S/C10H13F.C10H22N2.C10H16N2.C9H20N2.C9H16N2.C9H22N2.C9H13N.C9H19N.C9H13N.C8H18N2.C8H12N2.2C8H20N2.C8H17NO.2C8H17N.C8H19N.2C7H12N2.C7H13NO2.2C7H17N.C6H13F2N.C6H15N.C5H13N/c1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)11-9-5-7-12(4)8-6-9;1-10(2,3)12-8-9-5-4-6-11-7-9;1-9(2,3)11-7-5-10(4)6-8-11;1-7-10-6-8(11(7)5)9(2,3)4;1-9(2,3)10-7-6-8-11(4)5;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-6-7-10(4)5;1-7(2,3)10-6-8(4,5)9;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-7-4-5-7;1-8(2,3)9-6-4-5-7-9;1-5-6-7-9-8(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)8-4-5-10-6(8)9;1-6(2)8-7(3,4)5;1-5-6-8-7(2,3)4;1-6(2,3)9-4-5(7)8;1-6(2,3)7(4)5;1-5(2,3)6-4/h4-7H,1-3H3;9,11H,5-8H2,1-4H3;4-7,12H,8H2,1-3H3;5-8H2,1-4H3;6H,1-5H3;10H,6-8H2,1-5H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;9H,4-7H2,1-3H3;4-6H,1-3H3;9H,6-7H2,1-5H3;10H,6,9H2,1-5H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;9H,5-7H2,1-4H3;2*4-6H,1-3H3;4-5H2,1-3H3;6,8H,1-5H3;8H,5-6H2,1-4H3;5,9H,4H2,1-3H3;1-5H3;6H,1-4H3
InChIKeySPGYQPDVZPMZOK-UHFFFAOYSA-N
MW3406.68 g/mol
LogP41.52
Rot. Bonds22

About N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine

N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine (PubChem CID 160899268) has the molecular formula C200H406F3N35O3 and a molecular weight of 3406.68 g/mol. Its IUPAC name is N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound NameN-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine
PubChem CID160899268
Molecular FormulaC200H406F3N35O3
Molecular Weight3406.68 g/mol
Exact Mass3404.26
IUPAC NameN-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOC1=O.CC(C)(C)N1CCOCC1.CC(C)(C)NCC(F)F.CC(C)(C)NCC1CC1.CC(C)(C)NCc1cccnc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ncccn1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(N)CNC(C)(C)C.CC(C)NC(C)(C)C.CCCCNC(C)(C)C.CCCNC(C)(C)C.CN(C)C(C)(C)C.CN(C)CCCNC(C)(C)C.CN(C)CCNC(C)(C)C.CN1CCC(NC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC(C)(C)C.Cc1ncc(C(C)(C)C)n1C
InChIInChI=1S/C10H13F.C10H22N2.C10H16N2.C9H20N2.C9H16N2.C9H22N2.C9H13N.C9H19N.C9H13N.C8H18N2.C8H12N2.2C8H20N2.C8H17NO.2C8H17N.C8H19N.2C7H12N2.C7H13NO2.2C7H17N.C6H13F2N.C6H15N.C5H13N/c1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)11-9-5-7-12(4)8-6-9;1-10(2,3)12-8-9-5-4-6-11-7-9;1-9(2,3)11-7-5-10(4)6-8-11;1-7-10-6-8(11(7)5)9(2,3)4;1-9(2,3)10-7-6-8-11(4)5;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-6-7-10(4)5;1-7(2,3)10-6-8(4,5)9;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-7-4-5-7;1-8(2,3)9-6-4-5-7-9;1-5-6-7-9-8(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)8-4-5-10-6(8)9;1-6(2)8-7(3,4)5;1-5-6-8-7(2,3)4;1-6(2,3)9-4-5(7)8;1-6(2,3)7(4)5;1-5(2,3)6-4/h4-7H,1-3H3;9,11H,5-8H2,1-4H3;4-7,12H,8H2,1-3H3;5-8H2,1-4H3;6H,1-5H3;10H,6-8H2,1-5H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;9H,4-7H2,1-3H3;4-6H,1-3H3;9H,6-7H2,1-5H3;10H,6,9H2,1-5H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;9H,5-7H2,1-4H3;2*4-6H,1-3H3;4-5H2,1-3H3;6,8H,1-5H3;8H,5-6H2,1-4H3;5,9H,4H2,1-3H3;1-5H3;6H,1-4H3
InChIKeySPGYQPDVZPMZOK-UHFFFAOYSA-N
XLogP41.52
TPSA359.46 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds22
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003406.68
LogP ≤ 541.52
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

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CID 87516882
N-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[[4-[2-[[1-(difluoromethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methyl]-5-methylmorpholin-2-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-3-ium-2-amine
CID 91421822
1-[6-[[1-[5-[[7-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3,5-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970495
cyclopropyl N-propan-2-ylcarbamate;1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;3-fluoro-3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide
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CID 157096663
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Tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;bis(6-(1-cyclohexylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine)
CID 157303422
7-[2-(Dimethylamino)ethyl]-2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;9-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;methane;7-methyl-9-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]cyclopropyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 157334695
1-tert-butylcyclohexene;6-tert-butyl-2-cyclopropylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-2-ethylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-2-fluoro-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butyl-7-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1-methylpyrimidin-2-one;6-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-2-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyrimidine;2-(4-tert-butylpyrazol-1-yl)-5-fluoropyrimidine;2-(4-tert-butylpyrazol-1-yl)pyrimidine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-tert-butyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine;2,6-ditert-butylpyrazolo[1,5-a]pyrimidine
CID 157364601
N-tert-butylacetamide;N-tert-butylcyclopropanecarboxamide;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;N-tert-butyl-2-methylpropanamide;N-tert-butyl-1-methylpyrazol-3-amine;N-tert-butyl-1-methylpyrazol-4-amine;N-tert-butyl-2-methylpyrazol-3-amine;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;N-tert-butyloxetan-3-amine;N-tert-butylpropanamide;N-tert-butylpyridin-2-amine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1,1-difluoro-2,2-dimethylpropane;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;2-methylpropan-2-amine;2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine;1,1,1-trifluoro-2,2-dimethylpropane
CID 157378933

Frequently Asked Questions

What is the IUPAC name of N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine?
The IUPAC name of N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine (CID 160899268) is N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine?
The canonical SMILES for N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOC1=O.CC(C)(C)N1CCOCC1.CC(C)(C)NCC(F)F.CC(C)(C)NCC1CC1.CC(C)(C)NCc1cccnc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ncccn1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(N)CNC(C)(C)C.CC(C)NC(C)(C)C.CCCCNC(C)(C)C.CCCNC(C)(C)C.CN(C)C(C)(C)C.CN(C)CCCNC(C)(C)C.CN(C)CCNC(C)(C)C.CN1CCC(NC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC(C)(C)C.Cc1ncc(C(C)(C)C)n1C.
What is the InChIKey of N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine?
The InChIKey is SPGYQPDVZPMZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F.C10H22N2.C10H16N2.C9H20N2.C9H16N2.C9H22N2.C9H13N.C9H19N.C9H13N.C8H18N2.C8H12N2.2C8H20N2.C8H17NO.2C8H17N.C8H19N.2C7H12N2.C7H13NO2.2C7H17N.C6H13F2N.C6H15N.C5H13N/c1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)11-9-5-7-12(4)8-6-9;1-10(2,3)12-8-9-5-4-6-11-7-9;1-9(2,3)11-7-5-10(4)6-8-11;1-7-10-6-8(11(7)5)9(2,3)4;1-9(2,3)10-7-6-8-11(4)5;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-6-7-10(4)5;1-7(2,3)10-6-8(4,5)9;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-7-4-5-7;1-8(2,3)9-6-4-5-7-9;1-5-6-7-9-8(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)8-4-5-10-6(8)9;1-6(2)8-7(3,4)5;1-5-6-8-7(2,3)4;1-6(2,3)9-4-5(7)8;1-6(2,3)7(4)5;1-5(2,3)6-4/h4-7H,1-3H3;9,11H,5-8H2,1-4H3;4-7,12H,8H2,1-3H3;5-8H2,1-4H3;6H,1-5H3;10H,6-8H2,1-5H3;4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;9H,4-7H2,1-3H3;4-6H,1-3H3;9H,6-7H2,1-5H3;10H,6,9H2,1-5H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;9H,5-7H2,1-4H3;2*4-6H,1-3H3;4-5H2,1-3H3;6,8H,1-5H3;8H,5-6H2,1-4H3;5,9H,4H2,1-3H3;1-5H3;6H,1-4H3.
What are the key properties of N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine?
N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine has a molecular weight of 3406.68 g/mol, XLogP of 41.52, 22 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbutan-1-amine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;5-tert-butyl-1,2-dimethylimidazole;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;1-tert-butyl-4-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;1-N-tert-butyl-2-methylpropane-1,2-diamine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidin-2-one;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-2-methylpropan-2-amine;N-(2,2-difluoroethyl)-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methyl-N-propylpropan-2-amine;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 160899268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).