cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene

C147H290N6O6S — CID 162057572

IUPACcumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene
SMILESCC(C)(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(C)O.CC(C)CC(C)C.CC(C)CC(N)=O.CC(C)CC1CCCCC1.CC(C)CCC(N)=O.CC(C)CCC1CCCCC1.CC(C)CCN.CC(C)CCO.CC(C)CCc1ccccc1.CC(C)CO.CC(C)Cc1ccc(O)cc1.CC(C)Cc1ccccc1.CC(C)Cc1cnc[nH]1.CC(C)c1ccccc1.CC(C)c1cccs1.CCC(C)C.CCCC(C)C.CCN(CC)CCC(C)C
InChIInChI=1S/C11H22.C11H16.C10H14O.C10H20.C10H14.C9H21N.C9H12.C7H12N2.C7H10S.C7H16.C6H13NO.2C6H14.C5H11NO.C5H13N.2C5H12O.2C5H12.C4H10O.C4H10/c2*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-3-5-10(11)6-4-9;2*1-9(2)8-10-6-4-3-5-7-10;1-5-10(6-2)8-7-9(3)4;1-8(2)9-6-4-3-5-7-9;1-6(2)3-7-4-8-5-9-7;1-6(2)7-4-3-5-8-7;1-6(2)5-7(3)4;1-5(2)3-4-6(7)8;1-5(2)6(3)4;1-4-5-6(2)3;1-4(2)3-5(6)7;2*1-5(2)3-4-6;1-4(2)5(3)6;1-5(2,3)4;1-4-5(2)3;1-4(2)3-5;1-4(2)3/h10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-6,8,11H,7H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;9H,5-8H2,1-4H3;3-8H,1-2H3;4-6H,3H2,1-2H3,(H,8,9);3-6H,1-2H3;6-7H,5H2,1-4H3;5H,3-4H2,1-2H3,(H2,7,8);5-6H,1-4H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3,(H2,6,7);5H,3-4,6H2,1-2H3;5-6H,3-4H2,1-2H3;4-6H,1-3H3;1-4H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3;4H,1-3H3
InChIKeyYZJUPDPOMDDGDG-UHFFFAOYSA-N
MW2270.04 g/mol
LogP44.33
Rot. Bonds38

About cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene

cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene (PubChem CID 162057572) has the molecular formula C147H290N6O6S and a molecular weight of 2270.04 g/mol. Its IUPAC name is cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene
PubChem CID162057572
Molecular FormulaC147H290N6O6S
Molecular Weight2270.04 g/mol
Exact Mass2268.23
IUPAC Namecumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene
SMILESCC(C)(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(C)O.CC(C)CC(C)C.CC(C)CC(N)=O.CC(C)CC1CCCCC1.CC(C)CCC(N)=O.CC(C)CCC1CCCCC1.CC(C)CCN.CC(C)CCO.CC(C)CCc1ccccc1.CC(C)CO.CC(C)Cc1ccc(O)cc1.CC(C)Cc1ccccc1.CC(C)Cc1cnc[nH]1.CC(C)c1ccccc1.CC(C)c1cccs1.CCC(C)C.CCCC(C)C.CCN(CC)CCC(C)C
InChIInChI=1S/C11H22.C11H16.C10H14O.C10H20.C10H14.C9H21N.C9H12.C7H12N2.C7H10S.C7H16.C6H13NO.2C6H14.C5H11NO.C5H13N.2C5H12O.2C5H12.C4H10O.C4H10/c2*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-3-5-10(11)6-4-9;2*1-9(2)8-10-6-4-3-5-7-10;1-5-10(6-2)8-7-9(3)4;1-8(2)9-6-4-3-5-7-9;1-6(2)3-7-4-8-5-9-7;1-6(2)7-4-3-5-8-7;1-6(2)5-7(3)4;1-5(2)3-4-6(7)8;1-5(2)6(3)4;1-4-5-6(2)3;1-4(2)3-5(6)7;2*1-5(2)3-4-6;1-4(2)5(3)6;1-5(2,3)4;1-4-5(2)3;1-4(2)3-5;1-4(2)3/h10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-6,8,11H,7H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;9H,5-8H2,1-4H3;3-8H,1-2H3;4-6H,3H2,1-2H3,(H,8,9);3-6H,1-2H3;6-7H,5H2,1-4H3;5H,3-4H2,1-2H3,(H2,7,8);5-6H,1-4H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3,(H2,6,7);5H,3-4,6H2,1-2H3;5-6H,3-4H2,1-2H3;4-6H,1-3H3;1-4H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3;4H,1-3H3
InChIKeyYZJUPDPOMDDGDG-UHFFFAOYSA-N
XLogP44.33
TPSA225.04 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds38
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002270.04
LogP ≤ 544.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene 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

1,1-difluoro-3-methylbutane;1,1-difluoro-6-methylheptan-4-one;3,3-difluoro-5-methylhexan-1-ol;1,1-difluoro-7-methyloctan-4-one;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;1,1-difluoro-4-(2-methylpropyl)cyclohexane;2,3-dimethylpentane;1-fluoro-3-methylbutane;2-fluoro-4-methylpentan-1-ol;7-hydroxy-2-methyloctan-4-one;bis(1-methoxy-3-methylbutane);3-methylbutanamide;3-methylbutanoic acid;3-methylbutylcyclopropane;bis(2-methylhexane);5-methylhexan-3-ol;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)cyclohexane;(2R)-4-methylpentan-2-ol;(2S)-4-methylpentan-2-ol;4-methylpentan-2-ol;2-methylpropylbenzene;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopropane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine;2,2,4-trimethylpentane
CID 165030408
CID 165011986
CID 165011986
(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoic acid
CID 44624016
2-[[(2S)-6-amino-2-[[(3R)-3-hydroxy-2-(3-hydroxypropanoylamino)butanoyl]amino]hexanoyl]amino]butanediamide;N-[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methylpentanamide;2-[3-(4-hydroxyphenyl)propanoylamino]-3-methylpentanamide
CID 143986844
(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]hexanoic acid
CID 91898615
(4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-5-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
CID 52944778
(3S)-4-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 91899043
(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 91899042
(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2R,3S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 91899024
(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 91899056
(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 91899029
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,5S,8S,11S,19S)-11-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[2-[[2-[[(2S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-8-(2-amino-2-oxoethyl)-2-[(4-hydroxyphenyl)methyl]-5-(2-methylpropyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicos-19-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid
CID 90800766

Frequently Asked Questions

What is the IUPAC name of cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene?
The IUPAC name of cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene (CID 162057572) is cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene.
What is the SMILES notation for cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene?
The canonical SMILES for cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene is CC(C)(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(C)O.CC(C)CC(C)C.CC(C)CC(N)=O.CC(C)CC1CCCCC1.CC(C)CCC(N)=O.CC(C)CCC1CCCCC1.CC(C)CCN.CC(C)CCO.CC(C)CCc1ccccc1.CC(C)CO.CC(C)Cc1ccc(O)cc1.CC(C)Cc1ccccc1.CC(C)Cc1cnc[nH]1.CC(C)c1ccccc1.CC(C)c1cccs1.CCC(C)C.CCCC(C)C.CCN(CC)CCC(C)C.
What is the InChIKey of cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene?
The InChIKey is YZJUPDPOMDDGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C11H16.C10H14O.C10H20.C10H14.C9H21N.C9H12.C7H12N2.C7H10S.C7H16.C6H13NO.2C6H14.C5H11NO.C5H13N.2C5H12O.2C5H12.C4H10O.C4H10/c2*1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-3-5-10(11)6-4-9;2*1-9(2)8-10-6-4-3-5-7-10;1-5-10(6-2)8-7-9(3)4;1-8(2)9-6-4-3-5-7-9;1-6(2)3-7-4-8-5-9-7;1-6(2)7-4-3-5-8-7;1-6(2)5-7(3)4;1-5(2)3-4-6(7)8;1-5(2)6(3)4;1-4-5-6(2)3;1-4(2)3-5(6)7;2*1-5(2)3-4-6;1-4(2)5(3)6;1-5(2,3)4;1-4-5(2)3;1-4(2)3-5;1-4(2)3/h10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-6,8,11H,7H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;9H,5-8H2,1-4H3;3-8H,1-2H3;4-6H,3H2,1-2H3,(H,8,9);3-6H,1-2H3;6-7H,5H2,1-4H3;5H,3-4H2,1-2H3,(H2,7,8);5-6H,1-4H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3,(H2,6,7);5H,3-4,6H2,1-2H3;5-6H,3-4H2,1-2H3;4-6H,1-3H3;1-4H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3;4H,1-3H3.
What are the key properties of cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene?
cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene has a molecular weight of 2270.04 g/mol, XLogP of 44.33, 38 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene is sourced from PubChem (CID 162057572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).