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-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;1-(2,2-dimethylpropyl)-3H-indol-2-one

C141H193F4N7O5S2 — CID 157448716

IUPACN-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-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;1-(2,2-dimethylpropyl)-3H-indol-2-one
SMILESCC(C)(C)CCC1=CCc2ccccc21.CC(C)(C)CCCc1nc2ccccc2s1.CC(C)(C)CN1C(=O)Cc2ccccc21.CC(C)(C)c1ccn(-c2cccc(F)c2)n1.CC(C)CC(=O)Cc1cccc(C(C)(C)C)c1.CC1=CC2=CC(C(F)(F)F)=CC2C(C)=C1CC(C)(C)C.CN(Cc1ccccc1)CC(C)(C)C.COc1cccc(COCC(C)(C)C)c1.COc1ccccc1C1CC1C(C)(C)C.Cc1nc(-c2ccccn2)sc1C(C)(C)C
InChIInChI=1S/C17H21F3.C16H24O.C15H20.C14H19NS.C14H20O.C13H15FN2.C13H16N2S.C13H17NO.C13H21N.C13H20O2/c1-10-6-12-7-13(17(18,19)20)8-14(12)11(2)15(10)9-16(3,4)5;1-12(2)9-15(17)11-13-7-6-8-14(10-13)16(3,4)5;1-15(2,3)11-10-13-9-8-12-6-4-5-7-14(12)13;1-14(2,3)10-6-9-13-15-11-7-4-5-8-12(11)16-13;1-14(2,3)12-9-11(12)10-7-5-6-8-13(10)15-4;1-13(2,3)12-7-8-16(15-12)11-6-4-5-10(14)9-11;1-9-11(13(2,3)4)16-12(15-9)10-7-5-6-8-14-10;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/h6-8,14H,9H2,1-5H3;6-8,10,12H,9,11H2,1-5H3;4-7,9H,8,10-11H2,1-3H3;4-5,7-8H,6,9-10H2,1-3H3;5-8,11-12H,9H2,1-4H3;4-9H,1-3H3;5-8H,1-4H3;4-7H,8-9H2,1-3H3;5-9H,10-11H2,1-4H3;5-8H,9-10H2,1-4H3
InChIKeyBSNQWLUFMHAZOB-UHFFFAOYSA-N
MW2206.26 g/mol
LogP39.01
Rot. Bonds22

About 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-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;1-(2,2-dimethylpropyl)-3H-indol-2-one (PubChem CID 157448716) has the molecular formula C141H193F4N7O5S2 and a molecular weight of 2206.26 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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;1-(2,2-dimethylpropyl)-3H-indol-2-one
PubChem CID157448716
Molecular FormulaC141H193F4N7O5S2
Molecular Weight2206.26 g/mol
Exact Mass2204.44
IUPAC NameN-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-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;1-(2,2-dimethylpropyl)-3H-indol-2-one
SMILESCC(C)(C)CCC1=CCc2ccccc21.CC(C)(C)CCCc1nc2ccccc2s1.CC(C)(C)CN1C(=O)Cc2ccccc21.CC(C)(C)c1ccn(-c2cccc(F)c2)n1.CC(C)CC(=O)Cc1cccc(C(C)(C)C)c1.CC1=CC2=CC(C(F)(F)F)=CC2C(C)=C1CC(C)(C)C.CN(Cc1ccccc1)CC(C)(C)C.COc1cccc(COCC(C)(C)C)c1.COc1ccccc1C1CC1C(C)(C)C.Cc1nc(-c2ccccn2)sc1C(C)(C)C
InChIInChI=1S/C17H21F3.C16H24O.C15H20.C14H19NS.C14H20O.C13H15FN2.C13H16N2S.C13H17NO.C13H21N.C13H20O2/c1-10-6-12-7-13(17(18,19)20)8-14(12)11(2)15(10)9-16(3,4)5;1-12(2)9-15(17)11-13-7-6-8-14(10-13)16(3,4)5;1-15(2,3)11-10-13-9-8-12-6-4-5-7-14(12)13;1-14(2,3)10-6-9-13-15-11-7-4-5-8-12(11)16-13;1-14(2,3)12-9-11(12)10-7-5-6-8-13(10)15-4;1-13(2,3)12-7-8-16(15-12)11-6-4-5-10(14)9-11;1-9-11(13(2,3)4)16-12(15-9)10-7-5-6-8-14-10;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/h6-8,14H,9H2,1-5H3;6-8,10,12H,9,11H2,1-5H3;4-7,9H,8,10-11H2,1-3H3;4-5,7-8H,6,9-10H2,1-3H3;5-8,11-12H,9H2,1-4H3;4-9H,1-3H3;5-8H,1-4H3;4-7H,8-9H2,1-3H3;5-9H,10-11H2,1-4H3;5-8H,9-10H2,1-4H3
InChIKeyBSNQWLUFMHAZOB-UHFFFAOYSA-N
XLogP39.01
TPSA124.80 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002206.26
LogP ≤ 539.01
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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;1-(2,2-dimethylpropyl)-3H-indol-2-one with MolForge

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Related Compounds

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
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
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;methyl 5-tert-butylpyridine-3-carboxylate
CID 161847633

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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;1-(2,2-dimethylpropyl)-3H-indol-2-one (CID 157448716) is 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-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;1-(2,2-dimethylpropyl)-3H-indol-2-one is CC(C)(C)CCC1=CCc2ccccc21.CC(C)(C)CCCc1nc2ccccc2s1.CC(C)(C)CN1C(=O)Cc2ccccc21.CC(C)(C)c1ccn(-c2cccc(F)c2)n1.CC(C)CC(=O)Cc1cccc(C(C)(C)C)c1.CC1=CC2=CC(C(F)(F)F)=CC2C(C)=C1CC(C)(C)C.CN(Cc1ccccc1)CC(C)(C)C.COc1cccc(COCC(C)(C)C)c1.COc1ccccc1C1CC1C(C)(C)C.Cc1nc(-c2ccccn2)sc1C(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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;1-(2,2-dimethylpropyl)-3H-indol-2-one?
The InChIKey is BSNQWLUFMHAZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3.C16H24O.C15H20.C14H19NS.C14H20O.C13H15FN2.C13H16N2S.C13H17NO.C13H21N.C13H20O2/c1-10-6-12-7-13(17(18,19)20)8-14(12)11(2)15(10)9-16(3,4)5;1-12(2)9-15(17)11-13-7-6-8-14(10-13)16(3,4)5;1-15(2,3)11-10-13-9-8-12-6-4-5-7-14(12)13;1-14(2,3)10-6-9-13-15-11-7-4-5-8-12(11)16-13;1-14(2,3)12-9-11(12)10-7-5-6-8-13(10)15-4;1-13(2,3)12-7-8-16(15-12)11-6-4-5-10(14)9-11;1-9-11(13(2,3)4)16-12(15-9)10-7-5-6-8-14-10;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/h6-8,14H,9H2,1-5H3;6-8,10,12H,9,11H2,1-5H3;4-7,9H,8,10-11H2,1-3H3;4-5,7-8H,6,9-10H2,1-3H3;5-8,11-12H,9H2,1-4H3;4-9H,1-3H3;5-8H,1-4H3;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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;1-(2,2-dimethylpropyl)-3H-indol-2-one has a molecular weight of 2206.26 g/mol, XLogP of 39.01, 22 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;5-tert-butyl-4-methyl-2-pyridin-2-yl-1,3-thiazole;1-(3-tert-butylphenyl)-4-methylpentan-2-one;3-(3,3-dimethylbutyl)-1H-indene;2-(4,4-dimethylpentyl)-1,3-benzothiazole;1-(2,2-dimethylpropoxymethyl)-3-methoxybenzene;5-(2,2-dimethylpropyl)-4,6-dimethyl-2-(trifluoromethyl)-3aH-indene;1-(2,2-dimethylpropyl)-3H-indol-2-one is sourced from PubChem (CID 157448716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).