4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane

C138H216F3N9O4 — CID 158146330

IUPAC4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane
SMILESC.C.C.C.C.C.C.C=C1NC=CC(CO)=C1C(C)(C)C.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccnc(CO)c1C(C)(C)C.Cc1ncnc(CO)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H16.C13H17N.C12H19N.C11H13F3.2C11H17NO.2C11H16.C10H16N2O.C9H15NO.2C9H13N.7CH4/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-10(11(2,3)4)9(7-13)5-6-12-8;1-8-5-6-12-9(7-13)10(8)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-7-9(10(2,3)4)8(5-13)12-6-11-7;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;;;;;;;/h4-10H,1-3H3;5-9H,1-4H3;6-9H,1-5H3;4-7H,1-3H3;5-6,12-13H,1,7H2,2-4H3;5-6,13H,7H2,1-4H3;2*5-8H,1-4H3;6,13H,5H2,1-4H3;1-5H3;2*4-7H,1-3H3;7*1H4
InChIKeyFUOHFLQXBSQDFQ-UHFFFAOYSA-N
MW2122.30 g/mol
LogP38.76
Rot. Bonds4

About 4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane

4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane (PubChem CID 158146330) has the molecular formula C138H216F3N9O4 and a molecular weight of 2122.30 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane
PubChem CID158146330
Molecular FormulaC138H216F3N9O4
Molecular Weight2122.30 g/mol
Exact Mass2120.69
IUPAC Name4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane
SMILESC.C.C.C.C.C.C.C=C1NC=CC(CO)=C1C(C)(C)C.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccnc(CO)c1C(C)(C)C.Cc1ncnc(CO)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C14H16.C13H17N.C12H19N.C11H13F3.2C11H17NO.2C11H16.C10H16N2O.C9H15NO.2C9H13N.7CH4/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-10(11(2,3)4)9(7-13)5-6-12-8;1-8-5-6-12-9(7-13)10(8)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-7-9(10(2,3)4)8(5-13)12-6-11-7;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;;;;;;;/h4-10H,1-3H3;5-9H,1-4H3;6-9H,1-5H3;4-7H,1-3H3;5-6,12-13H,1,7H2,2-4H3;5-6,13H,7H2,1-4H3;2*5-8H,1-4H3;6,13H,5H2,1-4H3;1-5H3;2*4-7H,1-3H3;7*1H4
InChIKeyFUOHFLQXBSQDFQ-UHFFFAOYSA-N
XLogP38.76
TPSA171.37 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms154
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002122.30
LogP ≤ 538.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane?
The IUPAC name of 4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane (CID 158146330) is 4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane.
What is the SMILES notation for 4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane?
The canonical SMILES for 4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane is C.C.C.C.C.C.C.C=C1NC=CC(CO)=C1C(C)(C)C.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccnc(CO)c1C(C)(C)C.Cc1ncnc(CO)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)c2ccccc21.
What is the InChIKey of 4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane?
The InChIKey is FUOHFLQXBSQDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H17N.C12H19N.C11H13F3.2C11H17NO.2C11H16.C10H16N2O.C9H15NO.2C9H13N.7CH4/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-10(11(2,3)4)9(7-13)5-6-12-8;1-8-5-6-12-9(7-13)10(8)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-7-9(10(2,3)4)8(5-13)12-6-11-7;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;;;;;;;/h4-10H,1-3H3;5-9H,1-4H3;6-9H,1-5H3;4-7H,1-3H3;5-6,12-13H,1,7H2,2-4H3;5-6,13H,7H2,1-4H3;2*5-8H,1-4H3;6,13H,5H2,1-4H3;1-5H3;2*4-7H,1-3H3;7*1H4.
What are the key properties of 4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane?
4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane has a molecular weight of 2122.30 g/mol, XLogP of 38.76, 4 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(1-tert-butyl-2-methylbenzene);(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene;methane is sourced from PubChem (CID 158146330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).