2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine

C211H368F3N15O8 — CID 158798212

IUPAC2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)OCCC1CCNCC1.CC(C)(C)OCc1ccccc1.CC(C)(C)Oc1ccc2cccnc2c1.CC(C)C.CC(C)C.CC(C)N1CCCCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN(C)CC1.CC(C)NC1CC1.CC(C)Nc1ccccc1.CC(C)OC1CC=CC1.CC(C)OC1CCCCC1.CC(C)OCC1CCC1.CC(C)OCC1CCCC1.CC1CCN(C(C)C)C1.CCC(CC)CCC(C)(C)C.CN(CCc1ccccc1)C(C)(C)C.Cc1ccc(CCOC(C)(C)C)cc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(F)c1NC(C)C.NCc1cc(F)ccc1F.c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C13H15NO.C13H21N.C13H20O.C12H17N.C11H23NO.C11H15N.C11H16O.C11H24.C10H14FN.C10H15N.C9H13N.2C9H18O.C8H18N2.3C8H17N.C8H16O.C8H14O.C7H7F2N.C6H13N.2C4H10/c1-13(2,3)15-11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)14(4)11-10-12-8-6-5-7-9-12;1-11-5-7-12(8-6-11)9-10-14-13(2,3)4;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-11(2,3)13-9-6-10-4-7-12-8-5-10;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-11(2,3)12-9-10-7-5-4-6-8-10;1-6-10(7-2)8-9-11(3,4)5;1-7(2)12-10-8(3)5-4-6-9(10)11;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2)10-9-6-4-3-5-7-9;1-8(2)10-7-9-5-3-4-6-9;1-8(2)10-9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(3)6-9;1-8(2,3)9-6-4-5-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-8-4-3-5-8;1-7(2)9-8-5-3-4-6-8;8-6-1-2-7(9)5(3-6)4-10;1-5(2)7-6-3-4-6;2*1-4(2)3/h4-9H,1-3H3;5-9H,10-11H2,1-4H3;5-8H,9-10H2,1-4H3;3-4,6,8,10H,5,7,9H2,1-2H3;10,12H,4-9H2,1-3H3;1-3,5-6,11-12H,4,7-9H2;4-8H,9H2,1-3H3;10H,6-9H2,1-5H3;4-7,12H,1-3H3;5-7H,1-4H3;3-8,10H,1-2H3;2*8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;1-3H,4,10H2;5-7H,3-4H2,1-2H3;2*4H,1-3H3
InChIKeyITDBXMQKNYUHLM-UHFFFAOYSA-N
MW3300.36 g/mol
LogP54.04
Rot. Bonds38

About 2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine

2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine (PubChem CID 158798212) has the molecular formula C211H368F3N15O8 and a molecular weight of 3300.36 g/mol. Its IUPAC name is 2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine
PubChem CID158798212
Molecular FormulaC211H368F3N15O8
Molecular Weight3300.36 g/mol
Exact Mass3297.88
IUPAC Name2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)OCCC1CCNCC1.CC(C)(C)OCc1ccccc1.CC(C)(C)Oc1ccc2cccnc2c1.CC(C)C.CC(C)C.CC(C)N1CCCCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN(C)CC1.CC(C)NC1CC1.CC(C)Nc1ccccc1.CC(C)OC1CC=CC1.CC(C)OC1CCCCC1.CC(C)OCC1CCC1.CC(C)OCC1CCCC1.CC1CCN(C(C)C)C1.CCC(CC)CCC(C)(C)C.CN(CCc1ccccc1)C(C)(C)C.Cc1ccc(CCOC(C)(C)C)cc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(F)c1NC(C)C.NCc1cc(F)ccc1F.c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C13H15NO.C13H21N.C13H20O.C12H17N.C11H23NO.C11H15N.C11H16O.C11H24.C10H14FN.C10H15N.C9H13N.2C9H18O.C8H18N2.3C8H17N.C8H16O.C8H14O.C7H7F2N.C6H13N.2C4H10/c1-13(2,3)15-11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)14(4)11-10-12-8-6-5-7-9-12;1-11-5-7-12(8-6-11)9-10-14-13(2,3)4;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-11(2,3)13-9-6-10-4-7-12-8-5-10;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-11(2,3)12-9-10-7-5-4-6-8-10;1-6-10(7-2)8-9-11(3,4)5;1-7(2)12-10-8(3)5-4-6-9(10)11;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2)10-9-6-4-3-5-7-9;1-8(2)10-7-9-5-3-4-6-9;1-8(2)10-9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(3)6-9;1-8(2,3)9-6-4-5-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-8-4-3-5-8;1-7(2)9-8-5-3-4-6-8;8-6-1-2-7(9)5(3-6)4-10;1-5(2)7-6-3-4-6;2*1-4(2)3/h4-9H,1-3H3;5-9H,10-11H2,1-4H3;5-8H,9-10H2,1-4H3;3-4,6,8,10H,5,7,9H2,1-2H3;10,12H,4-9H2,1-3H3;1-3,5-6,11-12H,4,7-9H2;4-8H,9H2,1-3H3;10H,6-9H2,1-5H3;4-7,12H,1-3H3;5-7H,1-4H3;3-8,10H,1-2H3;2*8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;1-3H,4,10H2;5-7H,3-4H2,1-2H3;2*4H,1-3H3
InChIKeyITDBXMQKNYUHLM-UHFFFAOYSA-N
XLogP54.04
TPSA208.47 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds38
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003300.36
LogP ≤ 554.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-2-methylpyrimidine;1-tert-butyl-3-phenylpiperidine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;N-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-ylmorpholine;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane
CID 161024636
N-tert-butyl-N-methylcyclopropanamine;1-tert-butyl-4-methylpiperazine;N-tert-butyl-3-methylpyridin-2-amine;1-tert-butylpiperidin-2-one;1-tert-butylpyrrolidine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;2,2-dimethylpropylbenzene;ethane;2-methyl-N,N-di(propan-2-yl)propan-2-amine;1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxycyclohexane;2-methyl-2-propan-2-yloxypropane;4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpiperidine;N,N,2-trimethylpropan-2-amine
CID 157151145
tert-butylbenzene;2-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;tert-butylcyclopropane;1-tert-butyl-2-fluorobenzene;(2-tert-butyl-4-fluorophenyl)methanamine;1-tert-butyl-2-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;(2-tert-butylphenyl)methanamine;1-tert-butyl-2-propylbenzene;1-tert-butylpyrrolidine;N,N-diethylpropan-2-amine;2,2-dimethylpropanenitrile;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,2-dimethyl-N-propan-2-ylpropan-1-amine;1,2-di(propan-2-yl)benzene;1,4-di(propan-2-yl)piperazine;N-ethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylcyclobutanamine;N-propan-2-ylcyclopentanamine;N-propan-2-ylcyclopropanamine;2-propan-2-yloxypropane;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidine;N-propan-2-ylpropan-2-amine;2,2,3-trimethylbutane
CID 158354675
4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane
CID 159425724
1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane
CID 162171360
1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine
CID 162029024
N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane
CID 162233435
N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 118759688
[4-[3-[4-[3-[[3-aminopropyl(methylsulfonyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenyl] acetate;N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3R)-piperidin-3-yl]methyl]ethanamine;5-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol;4-[3-[4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(2-piperazin-1-ylethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[(3R)-4-hydroxy-3-methylbutyl]phenyl]pyrimidin-2-yl]propyl]phenol;methyl (2S,4S)-4-[ethyl-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]amino]pyrrolidine-2-carboxylate;4-[3-[4-[3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]pyrimidin-2-yl]propyl]phenol
CID 158118105
N'-(2-aminoethyl)-N'-(3-methylbutyl)ethane-1,2-diamine;3-benzyl-1-propan-2-ylpyrrolidine;cyclohexanamine;cyclopentanamine;4,6-dimethylheptan-1-amine;4,4-dimethylpentan-1-amine;ethane;3-ethyl-4-methylpentan-1-amine;6-methylheptan-3-amine;2-methylheptane;1-methyl-4-(4-methylpentyl)piperazine;4-methylpentan-1-amine;3-[4-[4-[4-[4-(4-methylpentoxy)butoxy]butoxy]butoxy]butoxy]propan-1-amine;3-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-1-amine;1-(4-methylpentyl)pyrrolidine;4-propan-2-ylpiperidine;3-propan-2-ylpyrrolidine;2,2,4-trimethylpentan-1-amine
CID 165036999
1-benzyl-4-methylpiperazine;4-benzyl-1-methylpiperidine;methane;1-methylazepane;1-methyl-2,3-dihydroindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-4-phenylpiperazine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;N-(1-methylpiperidin-3-yl)pyridin-4-amine;1-methylpyrrolidine;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-oxabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone;1-phenyl-1,4-diazepane
CID 161312202
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-5-(3-fluorophenyl)pentan-3-one;1-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)pentan-3-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-5-pyridin-4-ylpentan-3-one;sulfane
CID 161191171

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine?
The IUPAC name of 2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine (CID 158798212) is 2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine.
What is the SMILES notation for 2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine?
The canonical SMILES for 2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine is CC(C)(C)N1CCCC1.CC(C)(C)OCCC1CCNCC1.CC(C)(C)OCc1ccccc1.CC(C)(C)Oc1ccc2cccnc2c1.CC(C)C.CC(C)C.CC(C)N1CCCCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN(C)CC1.CC(C)NC1CC1.CC(C)Nc1ccccc1.CC(C)OC1CC=CC1.CC(C)OC1CCCCC1.CC(C)OCC1CCC1.CC(C)OCC1CCCC1.CC1CCN(C(C)C)C1.CCC(CC)CCC(C)(C)C.CN(CCc1ccccc1)C(C)(C)C.Cc1ccc(CCOC(C)(C)C)cc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(F)c1NC(C)C.NCc1cc(F)ccc1F.c1ccc(C2CCCNC2)cc1.
What is the InChIKey of 2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine?
The InChIKey is ITDBXMQKNYUHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C13H21N.C13H20O.C12H17N.C11H23NO.C11H15N.C11H16O.C11H24.C10H14FN.C10H15N.C9H13N.2C9H18O.C8H18N2.3C8H17N.C8H16O.C8H14O.C7H7F2N.C6H13N.2C4H10/c1-13(2,3)15-11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)14(4)11-10-12-8-6-5-7-9-12;1-11-5-7-12(8-6-11)9-10-14-13(2,3)4;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-11(2,3)13-9-6-10-4-7-12-8-5-10;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-11(2,3)12-9-10-7-5-4-6-8-10;1-6-10(7-2)8-9-11(3,4)5;1-7(2)12-10-8(3)5-4-6-9(10)11;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2)10-9-6-4-3-5-7-9;1-8(2)10-7-9-5-3-4-6-9;1-8(2)10-9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(3)6-9;1-8(2,3)9-6-4-5-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-8-4-3-5-8;1-7(2)9-8-5-3-4-6-8;8-6-1-2-7(9)5(3-6)4-10;1-5(2)7-6-3-4-6;2*1-4(2)3/h4-9H,1-3H3;5-9H,10-11H2,1-4H3;5-8H,9-10H2,1-4H3;3-4,6,8,10H,5,7,9H2,1-2H3;10,12H,4-9H2,1-3H3;1-3,5-6,11-12H,4,7-9H2;4-8H,9H2,1-3H3;10H,6-9H2,1-5H3;4-7,12H,1-3H3;5-7H,1-4H3;3-8,10H,1-2H3;2*8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;1-3H,4,10H2;5-7H,3-4H2,1-2H3;2*4H,1-3H3.
What are the key properties of 2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine?
2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine has a molecular weight of 3300.36 g/mol, XLogP of 54.04, 38 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methylpyridine;1-tert-butylpyrrolidine;(2,5-difluorophenyl)methanamine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;2-fluoro-6-methyl-N-propan-2-ylaniline;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;bis(2-methylpropane);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;3-phenylpiperidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane;1-propan-2-ylpiperidine is sourced from PubChem (CID 158798212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).