4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine

C209H365ClN18O12 — CID 158740228

IUPAC4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESC=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1.C=CC(=O)C(C)C.CC.CC(C)(C)C.CC(C)(C)CC1CCCC1.CC(C)(C)CCCO.CC(C)(C)CCCc1ccc(O)cc1.CC(C)(C)NC(C)(C)C.CC(C)(C)NC1CCCCCC1.CC(C)(C)NCCC1=CCc2ccccc21.CC(C)(C)NCCCc1ccccc1.CC(C)(C)NCCc1cnc[nH]1.CC(C)(C)NCc1ccc(N)cc1.CC(C)(C)NCc1cccnc1.CC(C)C(=O)C1CO1.CC(C)C(=O)CCl.CC(C)CC1CO1.CCCC(C)C.CN1CCN(CCCC(C)(C)C)CC1.COc1ccc(C)cc1CCCC(C)(C)C.Cc1cc(C)c2c(n1)OCN(C(C)(C)C)C2.Cc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C15H21N.C15H24O.C14H12N2O3.C13H20N2O.C13H21N.C13H20O.C12H26N2.C12H19N.C11H18N2.C11H23N.C10H16N2.C10H20.C9H17N3.C8H19N.C7H16O.C6H10O2.C6H12O.C6H10O.C6H14.C5H9ClO.C5H12.C2H6/c1-15(2,3)16-11-10-13-9-8-12-6-4-5-7-14(12)13;1-12-8-9-14(16-5)13(11-12)7-6-10-15(2,3)4;1-8-6-7-11(12(17)15-8)16-13(18)9-4-2-3-5-10(9)14(16)19;1-9-6-10(2)14-12-11(9)7-15(8-16-12)13(3,4)5;1-13(2,3)14-11-7-10-12-8-5-4-6-9-12;1-13(2,3)10-4-5-11-6-8-12(14)9-7-11;1-12(2,3)6-5-7-14-10-8-13(4)9-11-14;1-10-5-7-11(8-6-10)9-13-12(2,3)4;1-11(2,3)13-8-9-4-6-10(12)7-5-9;1-11(2,3)12-10-8-6-4-5-7-9-10;1-10(2,3)12-8-9-5-4-6-11-7-9;1-10(2,3)8-9-6-4-5-7-9;1-9(2,3)12-5-4-8-6-10-7-11-8;1-7(2,3)9-8(4,5)6;1-7(2,3)5-4-6-8;1-4(2)6(7)5-3-8-5;1-5(2)3-6-4-7-6;1-4-6(7)5(2)3;1-4-5-6(2)3;1-4(2)5(7)3-6;1-5(2,3)4;1-2/h4-7,9,16H,8,10-11H2,1-3H3;8-9,11H,6-7,10H2,1-5H3;2-5,11H,1,6-7H2,(H,15,17);6H,7-8H2,1-5H3;4-6,8-9,14H,7,10-11H2,1-3H3;6-9,14H,4-5,10H2,1-3H3;5-11H2,1-4H3;5-8,13H,9H2,1-4H3;4-7,13H,8,12H2,1-3H3;10,12H,4-9H2,1-3H3;4-7,12H,8H2,1-3H3;9H,4-8H2,1-3H3;6-7,12H,4-5H2,1-3H3,(H,10,11);9H,1-6H3;8H,4-6H2,1-3H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;4-5H,1H2,2-3H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3;1-4H3;1-2H3
InChIKeyIMEVMAKSBJEPKK-UHFFFAOYSA-N
MW3357.79 g/mol
LogP49.78
Rot. Bonds41

About 4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine

4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine (PubChem CID 158740228) has the molecular formula C209H365ClN18O12 and a molecular weight of 3357.79 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine
PubChem CID158740228
Molecular FormulaC209H365ClN18O12
Molecular Weight3357.79 g/mol
Exact Mass3354.82
IUPAC Name4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESC=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1.C=CC(=O)C(C)C.CC.CC(C)(C)C.CC(C)(C)CC1CCCC1.CC(C)(C)CCCO.CC(C)(C)CCCc1ccc(O)cc1.CC(C)(C)NC(C)(C)C.CC(C)(C)NC1CCCCCC1.CC(C)(C)NCCC1=CCc2ccccc21.CC(C)(C)NCCCc1ccccc1.CC(C)(C)NCCc1cnc[nH]1.CC(C)(C)NCc1ccc(N)cc1.CC(C)(C)NCc1cccnc1.CC(C)C(=O)C1CO1.CC(C)C(=O)CCl.CC(C)CC1CO1.CCCC(C)C.CN1CCN(CCCC(C)(C)C)CC1.COc1ccc(C)cc1CCCC(C)(C)C.Cc1cc(C)c2c(n1)OCN(C(C)(C)C)C2.Cc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C15H21N.C15H24O.C14H12N2O3.C13H20N2O.C13H21N.C13H20O.C12H26N2.C12H19N.C11H18N2.C11H23N.C10H16N2.C10H20.C9H17N3.C8H19N.C7H16O.C6H10O2.C6H12O.C6H10O.C6H14.C5H9ClO.C5H12.C2H6/c1-15(2,3)16-11-10-13-9-8-12-6-4-5-7-14(12)13;1-12-8-9-14(16-5)13(11-12)7-6-10-15(2,3)4;1-8-6-7-11(12(17)15-8)16-13(18)9-4-2-3-5-10(9)14(16)19;1-9-6-10(2)14-12-11(9)7-15(8-16-12)13(3,4)5;1-13(2,3)14-11-7-10-12-8-5-4-6-9-12;1-13(2,3)10-4-5-11-6-8-12(14)9-7-11;1-12(2,3)6-5-7-14-10-8-13(4)9-11-14;1-10-5-7-11(8-6-10)9-13-12(2,3)4;1-11(2,3)13-8-9-4-6-10(12)7-5-9;1-11(2,3)12-10-8-6-4-5-7-9-10;1-10(2,3)12-8-9-5-4-6-11-7-9;1-10(2,3)8-9-6-4-5-7-9;1-9(2,3)12-5-4-8-6-10-7-11-8;1-7(2,3)9-8(4,5)6;1-7(2,3)5-4-6-8;1-4(2)6(7)5-3-8-5;1-5(2)3-6-4-7-6;1-4-6(7)5(2)3;1-4-5-6(2)3;1-4(2)5(7)3-6;1-5(2,3)4;1-2/h4-7,9,16H,8,10-11H2,1-3H3;8-9,11H,6-7,10H2,1-5H3;2-5,11H,1,6-7H2,(H,15,17);6H,7-8H2,1-5H3;4-6,8-9,14H,7,10-11H2,1-3H3;6-9,14H,4-5,10H2,1-3H3;5-11H2,1-4H3;5-8,13H,9H2,1-4H3;4-7,13H,8,12H2,1-3H3;10,12H,4-9H2,1-3H3;4-7,12H,8H2,1-3H3;9H,4-8H2,1-3H3;6-7,12H,4-5H2,1-3H3,(H,10,11);9H,1-6H3;8H,4-6H2,1-3H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;4-5H,1H2,2-3H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3;1-4H3;1-2H3
InChIKeyIMEVMAKSBJEPKK-UHFFFAOYSA-N
XLogP49.78
TPSA388.11 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds41
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003357.79
LogP ≤ 549.78
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine 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-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;1-[3-(3-hydroxy-6-methylheptoxy)propoxy]-3-methylbutan-2-one;3-methyl-1-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butan-2-one;3-methyl-1-[3-(6-methylheptoxy)propoxy]butan-2-one;3-methyl-1-[3-(3,3,6-trimethylheptoxy)propoxy]butan-2-one
CID 167566818
5-[4-(4-tert-butylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(2,3-dihydro-1-benzofuran-5-yl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(4-ethylsulfanylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(3-isoquinolin-6-yl-3-oxopropyl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-(3-isoquinolin-7-yl-3-oxopropyl)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylphenyl)-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-oxopropyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-propan-2-ylphenyl)butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-quinolin-7-ylpropyl)-3H-isoindol-1-one;sulfur dioxide
CID 159168316
5-[[6-[4-[(2S)-1-[2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]propan-2-yl]piperazin-1-yl]-6-oxohexyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 167551359
2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]acetamide;[(1R)-3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate
CID 161208428
2-[2-[(1R)-1-[(2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carbonyl]oxy-3-(3,4-dimethylphenyl)propyl]phenoxy]acetic acid;[(1R)-3-(3,4-dimethylphenyl)-1-[2-[7-[[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-2-oxoheptoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane
CID 159495218
5-[3-[1-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperidin-4-yl]oxypropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 161187918
5-[4-(5-chloro-2-methoxyphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(2-chloro-5-methylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(2-chloro-6-methylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(5-chloro-2-methylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[4-(2,5-dichlorophenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-(3-methoxyphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-methyl-3-(trifluoromethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-4-phenylbutyl)isoindole-1,3-dione
CID 159219121
4-[[4-[7-[2-(2,7-dioxoazepan-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-hydroxy-4-methylhept-5-ynyl]piperazin-1-yl]methyl]-N-[3-methyl-4-[(6-pyridin-3-yl-2-pyridinyl)amino]phenyl]benzamide
CID 138467408
4-[[4-[6-[5-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxohexoxy]pentoxy]hexyl]piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 129072806
4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonyl]piperidin-4-yl]-2-fluoro-5-methoxybenzamide
CID 156865669
3-aminopiperidine-2,6-dione;dimethyl 4-(1,1,1-trifluoroheptan-2-yloxy)benzene-1,2-dicarboxylate;5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-6,6,6-trifluorohexanal;2-(2,6-dioxopiperidin-3-yl)-5-(1,1,1-trifluoroheptan-2-yloxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-(1,1,1-trifluoro-6-hydroxyhexan-2-yl)oxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[1,1,1-trifluoro-6-[4-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]hexan-2-yl]oxyisoindole-1,3-dione;5-methyl-7-[6-(3-piperidin-4-yloxyazetidin-1-yl)-3-pyridinyl]pyrido[4,3-b]indole;4-(1,1,1-trifluoroheptan-2-yloxy)phthalic acid
CID 167584272
[1-[[(2S)-1-[(1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] 3-oxopiperidine-1-carboxylate
CID 67831323

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine (CID 158740228) is 4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine is C=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1.C=CC(=O)C(C)C.CC.CC(C)(C)C.CC(C)(C)CC1CCCC1.CC(C)(C)CCCO.CC(C)(C)CCCc1ccc(O)cc1.CC(C)(C)NC(C)(C)C.CC(C)(C)NC1CCCCCC1.CC(C)(C)NCCC1=CCc2ccccc21.CC(C)(C)NCCCc1ccccc1.CC(C)(C)NCCc1cnc[nH]1.CC(C)(C)NCc1ccc(N)cc1.CC(C)(C)NCc1cccnc1.CC(C)C(=O)C1CO1.CC(C)C(=O)CCl.CC(C)CC1CO1.CCCC(C)C.CN1CCN(CCCC(C)(C)C)CC1.COc1ccc(C)cc1CCCC(C)(C)C.Cc1cc(C)c2c(n1)OCN(C(C)(C)C)C2.Cc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine?
The InChIKey is IMEVMAKSBJEPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.C15H24O.C14H12N2O3.C13H20N2O.C13H21N.C13H20O.C12H26N2.C12H19N.C11H18N2.C11H23N.C10H16N2.C10H20.C9H17N3.C8H19N.C7H16O.C6H10O2.C6H12O.C6H10O.C6H14.C5H9ClO.C5H12.C2H6/c1-15(2,3)16-11-10-13-9-8-12-6-4-5-7-14(12)13;1-12-8-9-14(16-5)13(11-12)7-6-10-15(2,3)4;1-8-6-7-11(12(17)15-8)16-13(18)9-4-2-3-5-10(9)14(16)19;1-9-6-10(2)14-12-11(9)7-15(8-16-12)13(3,4)5;1-13(2,3)14-11-7-10-12-8-5-4-6-9-12;1-13(2,3)10-4-5-11-6-8-12(14)9-7-11;1-12(2,3)6-5-7-14-10-8-13(4)9-11-14;1-10-5-7-11(8-6-10)9-13-12(2,3)4;1-11(2,3)13-8-9-4-6-10(12)7-5-9;1-11(2,3)12-10-8-6-4-5-7-9-10;1-10(2,3)12-8-9-5-4-6-11-7-9;1-10(2,3)8-9-6-4-5-7-9;1-9(2,3)12-5-4-8-6-10-7-11-8;1-7(2,3)9-8(4,5)6;1-7(2,3)5-4-6-8;1-4(2)6(7)5-3-8-5;1-5(2)3-6-4-7-6;1-4-6(7)5(2)3;1-4-5-6(2)3;1-4(2)5(7)3-6;1-5(2,3)4;1-2/h4-7,9,16H,8,10-11H2,1-3H3;8-9,11H,6-7,10H2,1-5H3;2-5,11H,1,6-7H2,(H,15,17);6H,7-8H2,1-5H3;4-6,8-9,14H,7,10-11H2,1-3H3;6-9,14H,4-5,10H2,1-3H3;5-11H2,1-4H3;5-8,13H,9H2,1-4H3;4-7,13H,8,12H2,1-3H3;10,12H,4-9H2,1-3H3;4-7,12H,8H2,1-3H3;9H,4-8H2,1-3H3;6-7,12H,4-5H2,1-3H3,(H,10,11);9H,1-6H3;8H,4-6H2,1-3H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;4-5H,1H2,2-3H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3;1-4H3;1-2H3.
What are the key properties of 4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine?
4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine has a molecular weight of 3357.79 g/mol, XLogP of 49.78, 41 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]aniline;N-tert-butylcycloheptanamine;3-tert-butyl-5,7-dimethyl-2,4-dihydropyrido[3,2-e][1,3]oxazine;N-tert-butyl-2-methylpropan-2-amine;1-chloro-3-methylbutan-2-one;4,4-dimethylpentan-1-ol;2-(4,4-dimethylpentyl)-1-methoxy-4-methylbenzene;1-(4,4-dimethylpentyl)-4-methylpiperazine;4-(4,4-dimethylpentyl)phenol;2,2-dimethylpropane;2,2-dimethylpropylcyclopentane;ethane;N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropan-2-amine;N-[2-(3H-inden-1-yl)ethyl]-2-methylpropan-2-amine;2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine;2-methyl-1-(oxiran-2-yl)propan-1-one;2-methylpentane;4-methylpent-1-en-3-one;2-methyl-N-(3-phenylpropyl)propan-2-amine;2-(2-methylpropyl)oxirane;2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 158740228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).