N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one

C108H151F4N9O5S — CID 159551561

IUPACN-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one
SMILESCC(C)(C)C1CCCN(C(=O)c2cccs2)C1.CC(C)(C)CCC1=CCc2ccccc21.CC(C)(C)CN1C(=O)Cc2ccccc21.CC(C)(C)c1ccn(-c2cccc(F)c2)n1.CN(Cc1ccccc1)CC(C)(C)C.COc1cccc(COCC(C)(C)C)c1.COc1ccccc1C1CC1C(C)(C)C.Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(C)(C)C
InChIInChI=1S/C15H20.C14H21NOS.C14H20O.C13H17F3N4.C13H15FN2.C13H17NO.C13H21N.C13H20O2/c1-15(2,3)11-10-13-9-8-12-6-4-5-7-14(12)13;1-14(2,3)11-6-4-8-15(10-11)13(16)12-7-5-9-17-12;1-14(2,3)12-9-11(12)10-7-5-6-8-13(10)15-4;1-7-9(6-12(3,4)5)8(2)20-11(17-7)18-10(19-20)13(14,15)16;1-13(2,3)12-7-8-16(15-12)11-6-4-5-10(14)9-11;1-13(2,3)9-14-11-7-5-4-6-10(11)8-12(14)15;1-13(2,3)11-14(4)10-12-8-6-5-7-9-12;1-13(2,3)10-15-9-11-6-5-7-12(8-11)14-4/h4-7,9H,8,10-11H2,1-3H3;5,7,9,11H,4,6,8,10H2,1-3H3;5-8,11-12H,9H2,1-4H3;6H2,1-5H3;4-9H,1-3H3;4-7H,8-9H2,1-3H3;5-9H,10-11H2,1-4H3;5-8H,9-10H2,1-4H3
InChIKeyMFLMSNQGDPZQFL-UHFFFAOYSA-N
MW1763.51 g/mol
LogP27.65
Rot. Bonds15

About N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one

N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one (PubChem CID 159551561) has the molecular formula C108H151F4N9O5S and a molecular weight of 1763.51 g/mol. Its IUPAC name is N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one.

Molecular Properties

Compound NameN-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one
PubChem CID159551561
Molecular FormulaC108H151F4N9O5S
Molecular Weight1763.51 g/mol
Exact Mass1762.15
IUPAC NameN-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one
SMILESCC(C)(C)C1CCCN(C(=O)c2cccs2)C1.CC(C)(C)CCC1=CCc2ccccc21.CC(C)(C)CN1C(=O)Cc2ccccc21.CC(C)(C)c1ccn(-c2cccc(F)c2)n1.CN(Cc1ccccc1)CC(C)(C)C.COc1cccc(COCC(C)(C)C)c1.COc1ccccc1C1CC1C(C)(C)C.Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(C)(C)C
InChIInChI=1S/C15H20.C14H21NOS.C14H20O.C13H17F3N4.C13H15FN2.C13H17NO.C13H21N.C13H20O2/c1-15(2,3)11-10-13-9-8-12-6-4-5-7-14(12)13;1-14(2,3)11-6-4-8-15(10-11)13(16)12-7-5-9-17-12;1-14(2,3)12-9-11(12)10-7-5-6-8-13(10)15-4;1-7-9(6-12(3,4)5)8(2)20-11(17-7)18-10(19-20)13(14,15)16;1-13(2,3)12-7-8-16(15-12)11-6-4-5-10(14)9-11;1-13(2,3)9-14-11-7-5-4-6-10(11)8-12(14)15;1-13(2,3)11-14(4)10-12-8-6-5-7-9-12;1-13(2,3)10-15-9-11-6-5-7-12(8-11)14-4/h4-7,9H,8,10-11H2,1-3H3;5,7,9,11H,4,6,8,10H2,1-3H3;5-8,11-12H,9H2,1-4H3;6H2,1-5H3;4-9H,1-3H3;4-7H,8-9H2,1-3H3;5-9H,10-11H2,1-4H3;5-8H,9-10H2,1-4H3
InChIKeyMFLMSNQGDPZQFL-UHFFFAOYSA-N
XLogP27.65
TPSA132.45 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001763.51
LogP ≤ 527.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one with MolForge

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Related Compounds

1-benzothiophene;N-butyl-N-propylpyrimidin-2-amine;N-cyclohexyl-2-fluorobenzamide;2-(cyclopentylmethyl)pyridine;N-cyclopropyl-2-fluorobenzamide;undecakis(2,2-dimethylpropane);3-fluoro-7H-cyclopenta[b]pyridine;1-[(3-fluorophenyl)methyl]pyrrolidine;1H-indole;methane;1-(3-methylbutyl)pyrazole;2-pentylpyridine;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 157170813
1-benzothiophene;N-butyl-N-propylpyrimidin-2-amine;N-cyclohexyl-2-fluorobenzamide;2-(cyclopentylmethyl)pyridine;N-cyclopropyl-2-fluorobenzamide;undecakis(2,2-dimethylpropane);3-fluoro-7H-cyclopenta[b]pyridine;1-[(3-fluorophenyl)methyl]pyrrolidine;1H-indole;methane;1-(3-methylbutyl)pyrazole;2-pentylpyrimidine;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 157814801
N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;4-(2,2-dimethylpropoxy)benzamide;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one
CID 159055312
3-tert-butyl-1-(3-fluorophenyl)pyrazole;2-tert-butyl-3-methyl-1-benzofuran;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxy)-2-ethylbenzene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;methyl 3-tert-butylbenzoate
CID 160849399
1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;2-tert-butyl-3-methyl-1-benzofuran;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxy)-2-ethylbenzene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one
CID 167703604
N-[(1S)-1-(4-cyano-8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;methane;N-[(1S)-1-(8-methoxy-4-methyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-thiophen-2-ylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157423557
N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 162200414

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one?
The IUPAC name of N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one (CID 159551561) is N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one.
What is the SMILES notation for N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one?
The canonical SMILES for N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one is CC(C)(C)C1CCCN(C(=O)c2cccs2)C1.CC(C)(C)CCC1=CCc2ccccc21.CC(C)(C)CN1C(=O)Cc2ccccc21.CC(C)(C)c1ccn(-c2cccc(F)c2)n1.CN(Cc1ccccc1)CC(C)(C)C.COc1cccc(COCC(C)(C)C)c1.COc1ccccc1C1CC1C(C)(C)C.Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(C)(C)C.
What is the InChIKey of N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one?
The InChIKey is MFLMSNQGDPZQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20.C14H21NOS.C14H20O.C13H17F3N4.C13H15FN2.C13H17NO.C13H21N.C13H20O2/c1-15(2,3)11-10-13-9-8-12-6-4-5-7-14(12)13;1-14(2,3)11-6-4-8-15(10-11)13(16)12-7-5-9-17-12;1-14(2,3)12-9-11(12)10-7-5-6-8-13(10)15-4;1-7-9(6-12(3,4)5)8(2)20-11(17-7)18-10(19-20)13(14,15)16;1-13(2,3)12-7-8-16(15-12)11-6-4-5-10(14)9-11;1-13(2,3)9-14-11-7-5-4-6-10(11)8-12(14)15;1-13(2,3)11-14(4)10-12-8-6-5-7-9-12;1-13(2,3)10-15-9-11-6-5-7-12(8-11)14-4/h4-7,9H,8,10-11H2,1-3H3;5,7,9,11H,4,6,8,10H2,1-3H3;5-8,11-12H,9H2,1-4H3;6H2,1-5H3;4-9H,1-3H3;4-7H,8-9H2,1-3H3;5-9H,10-11H2,1-4H3;5-8H,9-10H2,1-4H3.
What are the key properties of N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one?
N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one has a molecular weight of 1763.51 g/mol, XLogP of 27.65, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,2-trimethylpropan-1-amine;1-(2-tert-butylcyclopropyl)-2-methoxybenzene;3-tert-butyl-1-(3-fluorophenyl)pyrazole;(3-tert-butylpiperidin-1-yl)-thiophen-2-ylmethanone;3-(3,3-dimethylbutyl)-1H-indene;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;1-(2,2-dimethylpropyl)-3H-indol-2-one is sourced from PubChem (CID 159551561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).