3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine

C136H238N24O8 — CID 159169193

IUPAC3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
SMILESC.C.C.CC(C)(C)CCC1=NCCC1.CC(C)(C)CCc1nc2ccccc2[nH]1.CC(C)(C)CCc1ncccn1.CC(C)(C)CN1CCOC1=O.CC(C)(C)Cn1ccoc1=O.CC(C)(C)NCC1=CC(=O)CC=C1.CC(C)(C)NCC1=CCN=C1.CC(C)(C)NCC1=CCN=N1.CC(C)(C)NCc1ccccn1.CC(C)(C)NCc1ncc[nH]1.Cc1cc[nH]c1CNC(C)(C)C.Cc1cn(CC(C)(C)C)c(=O)o1.Cc1nc(CCC(C)(C)C)[nH]c1C.Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C13H18N2.C11H20N2.C11H17NO.C10H18N2.2C10H16N2.C10H19N.C9H16N2.C9H15NO2.2C8H15N3.C8H15NO2.C8H13NO2.C8H13NO.3CH4/c1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12;1-8-9(2)13-10(12-8)6-7-11(3,4)5;1-11(2,3)12-8-9-5-4-6-10(13)7-9;1-8-5-6-11-9(8)7-12-10(2,3)4;1-10(2,3)6-5-9-11-7-4-8-12-9;1-10(2,3)12-8-9-6-4-5-7-11-9;1-10(2,3)7-6-9-5-4-8-11-9;1-9(2,3)11-7-8-4-5-10-6-8;1-7-5-10(8(11)12-7)6-9(2,3)4;1-8(2,3)11-6-7-9-4-5-10-7;1-8(2,3)9-6-7-4-5-10-11-7;2*1-8(2,3)6-9-4-5-11-7(9)10;1-6-9-5-7(10-6)8(2,3)4;;;/h4-7H,8-9H2,1-3H3,(H,14,15);6-7H2,1-5H3,(H,12,13);4-5,7,12H,6,8H2,1-3H3;5-6,11-12H,7H2,1-4H3;4,7-8H,5-6H2,1-3H3;4-7,12H,8H2,1-3H3;4-8H2,1-3H3;4,6,11H,5,7H2,1-3H3;5H,6H2,1-4H3;4-5,11H,6H2,1-3H3,(H,9,10);4,9H,5-6H2,1-3H3;4-6H2,1-3H3;4-5H,6H2,1-3H3;5H,1-4H3;3*1H4
InChIKeyKLLSSHZXWFJMMF-UHFFFAOYSA-N
MW2337.56 g/mol
LogP31.42
Rot. Bonds23

About 3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine

3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine (PubChem CID 159169193) has the molecular formula C136H238N24O8 and a molecular weight of 2337.56 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
PubChem CID159169193
Molecular FormulaC136H238N24O8
Molecular Weight2337.56 g/mol
Exact Mass2335.90
IUPAC Name3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
SMILESC.C.C.CC(C)(C)CCC1=NCCC1.CC(C)(C)CCc1nc2ccccc2[nH]1.CC(C)(C)CCc1ncccn1.CC(C)(C)CN1CCOC1=O.CC(C)(C)Cn1ccoc1=O.CC(C)(C)NCC1=CC(=O)CC=C1.CC(C)(C)NCC1=CCN=C1.CC(C)(C)NCC1=CCN=N1.CC(C)(C)NCc1ccccn1.CC(C)(C)NCc1ncc[nH]1.Cc1cc[nH]c1CNC(C)(C)C.Cc1cn(CC(C)(C)C)c(=O)o1.Cc1nc(CCC(C)(C)C)[nH]c1C.Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C13H18N2.C11H20N2.C11H17NO.C10H18N2.2C10H16N2.C10H19N.C9H16N2.C9H15NO2.2C8H15N3.C8H15NO2.C8H13NO2.C8H13NO.3CH4/c1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12;1-8-9(2)13-10(12-8)6-7-11(3,4)5;1-11(2,3)12-8-9-5-4-6-10(13)7-9;1-8-5-6-11-9(8)7-12-10(2,3)4;1-10(2,3)6-5-9-11-7-4-8-12-9;1-10(2,3)12-8-9-6-4-5-7-11-9;1-10(2,3)7-6-9-5-4-8-11-9;1-9(2,3)11-7-8-4-5-10-6-8;1-7-5-10(8(11)12-7)6-9(2,3)4;1-8(2,3)11-6-7-9-4-5-10-7;1-8(2,3)9-6-7-4-5-10-11-7;2*1-8(2,3)6-9-4-5-11-7(9)10;1-6-9-5-7(10-6)8(2,3)4;;;/h4-7H,8-9H2,1-3H3,(H,14,15);6-7H2,1-5H3,(H,12,13);4-5,7,12H,6,8H2,1-3H3;5-6,11-12H,7H2,1-4H3;4,7-8H,5-6H2,1-3H3;4-7,12H,8H2,1-3H3;4-8H2,1-3H3;4,6,11H,5,7H2,1-3H3;5H,6H2,1-4H3;4-5,11H,6H2,1-3H3,(H,9,10);4,9H,5-6H2,1-3H3;4-6H2,1-3H3;4-5H,6H2,1-3H3;5H,1-4H3;3*1H4
InChIKeyKLLSSHZXWFJMMF-UHFFFAOYSA-N
XLogP31.42
TPSA405.04 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002337.56
LogP ≤ 531.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

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bis(N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine);hydrate
CID 88443640
methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-5-[2-[(2S)-1-[(2S)-2-carbamoyloxy-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(2-piperidin-1-ylpyrimidin-5-yl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
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2-[2-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole
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3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-1,3-oxazol-2-amine;2-(3,3-dimethylbutyl)-1H-benzimidazole;2-(3,3-dimethylbutyl)-4,5-dihydro-1H-imidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridazin-3-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
CID 158168572
3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-1,3-oxazol-2-amine;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridazin-3-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
CID 158546153
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyridine;2-tert-butyl-1H-pyrrole
CID 159439997
3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-1,3-oxazol-2-amine;2-(3,3-dimethylbutyl)-1H-benzimidazole;2-(3,3-dimethylbutyl)-4,5-dihydro-1H-imidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;2,2-dimethyl-1-(1H-pyrazol-5-yl)propan-1-ol;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;N'-(2-methylpropyl)pyridine-2-carboximidamide;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridazin-3-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
CID 159589893
3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;2-tert-butyl-5-methyl-3H-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
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3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-1,3-oxazol-2-amine;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridazin-3-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
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but-2-yne;N,2-dimethylpropanamide;ethane;5-methyl-2-(2-methylpropyl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;1-methyl-4-propan-2-yltriazole;4-methyl-2-propan-2-yltriazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;5-phenyl-2-propan-2-yl-1H-imidazole;3-phenyl-5-propan-2-yl-1H-pyrazole;2-phenyl-5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-5-prop-1-ynyl-1H-imidazole;5-propan-2-yl-3-prop-1-ynyl-2H-pyrrole;toluene
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tert-butylbenzene;8-tert-butylimidazo[1,2-a]pyrazine;8-tert-butylimidazo[1,2-a]pyridine;bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;bis(1-tert-butylpyrazole);tris(2-tert-butyl-1H-pyrrole);3-tert-butyl-1H-pyrrole;5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;(2-methylpropan-2-yl)oxycyclobutane
CID 162268858

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine?
The IUPAC name of 3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine (CID 159169193) is 3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine?
The canonical SMILES for 3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine is C.C.C.CC(C)(C)CCC1=NCCC1.CC(C)(C)CCc1nc2ccccc2[nH]1.CC(C)(C)CCc1ncccn1.CC(C)(C)CN1CCOC1=O.CC(C)(C)Cn1ccoc1=O.CC(C)(C)NCC1=CC(=O)CC=C1.CC(C)(C)NCC1=CCN=C1.CC(C)(C)NCC1=CCN=N1.CC(C)(C)NCc1ccccn1.CC(C)(C)NCc1ncc[nH]1.Cc1cc[nH]c1CNC(C)(C)C.Cc1cn(CC(C)(C)C)c(=O)o1.Cc1nc(CCC(C)(C)C)[nH]c1C.Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of 3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine?
The InChIKey is KLLSSHZXWFJMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C11H20N2.C11H17NO.C10H18N2.2C10H16N2.C10H19N.C9H16N2.C9H15NO2.2C8H15N3.C8H15NO2.C8H13NO2.C8H13NO.3CH4/c1-13(2,3)9-8-12-14-10-6-4-5-7-11(10)15-12;1-8-9(2)13-10(12-8)6-7-11(3,4)5;1-11(2,3)12-8-9-5-4-6-10(13)7-9;1-8-5-6-11-9(8)7-12-10(2,3)4;1-10(2,3)6-5-9-11-7-4-8-12-9;1-10(2,3)12-8-9-6-4-5-7-11-9;1-10(2,3)7-6-9-5-4-8-11-9;1-9(2,3)11-7-8-4-5-10-6-8;1-7-5-10(8(11)12-7)6-9(2,3)4;1-8(2,3)11-6-7-9-4-5-10-7;1-8(2,3)9-6-7-4-5-10-11-7;2*1-8(2,3)6-9-4-5-11-7(9)10;1-6-9-5-7(10-6)8(2,3)4;;;/h4-7H,8-9H2,1-3H3,(H,14,15);6-7H2,1-5H3,(H,12,13);4-5,7,12H,6,8H2,1-3H3;5-6,11-12H,7H2,1-4H3;4,7-8H,5-6H2,1-3H3;4-7,12H,8H2,1-3H3;4-8H2,1-3H3;4,6,11H,5,7H2,1-3H3;5H,6H2,1-4H3;4-5,11H,6H2,1-3H3,(H,9,10);4,9H,5-6H2,1-3H3;4-6H2,1-3H3;4-5H,6H2,1-3H3;5H,1-4H3;3*1H4.
What are the key properties of 3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine?
3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine has a molecular weight of 2337.56 g/mol, XLogP of 31.42, 23 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-2-methyl-1,3-oxazole;2-(3,3-dimethylbutyl)-1H-benzimidazole;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)-4,5-dimethyl-1H-imidazole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;methane;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 159169193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).