N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine

C129H233N13O8 — CID 157425464

IUPACN,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1c(O)cc(O)cc1O.CC(C)c1ccc(CCN2CCCC2)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCCC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(O)c(O)c1O.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1ncc[nH]1
InChIInChI=1S/C15H23N.C14H22N2.C14H23NO.C13H19N.C12H18N2.C11H17N.2C9H12O3.C8H18N2.C7H15NO.C6H10N2.11CH4/c1-13(2)15-7-5-14(6-8-15)9-12-16-10-3-4-11-16;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-9(2)10-5-7-11(8-6-10)12(3)4;1-5(2)9-7(11)3-6(10)4-8(9)12;1-5(2)6-3-4-7(10)9(12)8(6)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-5(2)6-7-3-4-8-6;;;;;;;;;;;/h5-8,13H,3-4,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-9H,1-4H3;2*3-5,10-12H,1-2H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;3-5H,1-2H3,(H,7,8);11*1H4
InChIKeyBPXGCKXBPICUJH-UHFFFAOYSA-N
MW2094.37 g/mol
LogP32.00
Rot. Bonds23

About N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine

N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine (PubChem CID 157425464) has the molecular formula C129H233N13O8 and a molecular weight of 2094.37 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
PubChem CID157425464
Molecular FormulaC129H233N13O8
Molecular Weight2094.37 g/mol
Exact Mass2092.82
IUPAC NameN,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1c(O)cc(O)cc1O.CC(C)c1ccc(CCN2CCCC2)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCCC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(O)c(O)c1O.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1ncc[nH]1
InChIInChI=1S/C15H23N.C14H22N2.C14H23NO.C13H19N.C12H18N2.C11H17N.2C9H12O3.C8H18N2.C7H15NO.C6H10N2.11CH4/c1-13(2)15-7-5-14(6-8-15)9-12-16-10-3-4-11-16;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-9(2)10-5-7-11(8-6-10)12(3)4;1-5(2)9-7(11)3-6(10)4-8(9)12;1-5(2)6-3-4-7(10)9(12)8(6)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-5(2)6-7-3-4-8-6;;;;;;;;;;;/h5-8,13H,3-4,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-9H,1-4H3;2*3-5,10-12H,1-2H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;3-5H,1-2H3,(H,7,8);11*1H4
InChIKeyBPXGCKXBPICUJH-UHFFFAOYSA-N
XLogP32.00
TPSA213.81 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002094.37
LogP ≤ 532.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine with MolForge

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Related Compounds

[4-(1H-benzimidazol-2-ylmethoxy)-3-methoxyphenyl]-[5-[2-[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 143713021
N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 157106949
tert-butyl 2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine-1-carboxylate;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-propan-2-ylphenol;4-(4-propan-2-ylphenoxy)butan-1-amine;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;2-[2-(4-propan-2-ylphenoxy)ethyl]pyridine;4-[(4-propan-2-ylphenoxy)methyl]piperidine;2-[(4-propan-2-ylphenoxy)methyl]pyrrolidine;1-[(4-propan-2-ylphenyl)methyl]imidazole;4-(4-propan-2-ylphenyl)morpholine
CID 158646231
N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole
CID 159502349
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2,6-dimethoxyphenol;2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol;N-cyclohexyl-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-pentan-3-ylimidazo[1,2-a]pyridin-3-amine;N-cyclohexyl-2-[(4-phenylmethoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine
CID 160526580
4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol;4-[2-[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-4-ethoxyphenyl]-2,6-dimethoxyphenol
CID 161045553
3-[1-[2-[3-[4-[2-(3,4-dihydroxy-5-methoxyphenyl)-5-morpholin-4-ylbenzimidazol-1-yl]oxolan-2-yl]oxy-4-hydroxy-5-methoxyphenyl]-5-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl]pyridin-1-ium-3-yl]-6-methoxy-4-(3-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
CID 162531278
1-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine;4-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol;1-[3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
CID 167683888

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The IUPAC name of N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine (CID 157425464) is N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine is C.C.C.C.C.C.C.C.C.C.C.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1c(O)cc(O)cc1O.CC(C)c1ccc(CCN2CCCC2)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCCC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(O)c(O)c1O.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1ncc[nH]1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The InChIKey is BPXGCKXBPICUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H22N2.C14H23NO.C13H19N.C12H18N2.C11H17N.2C9H12O3.C8H18N2.C7H15NO.C6H10N2.11CH4/c1-13(2)15-7-5-14(6-8-15)9-12-16-10-3-4-11-16;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-9(2)10-5-7-11(8-6-10)12(3)4;1-5(2)9-7(11)3-6(10)4-8(9)12;1-5(2)6-3-4-7(10)9(12)8(6)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-5(2)6-7-3-4-8-6;;;;;;;;;;;/h5-8,13H,3-4,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-9H,1-4H3;2*3-5,10-12H,1-2H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;3-5H,1-2H3,(H,7,8);11*1H4.
What are the key properties of N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine has a molecular weight of 2094.37 g/mol, XLogP of 32.00, 23 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 157425464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).