1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine

C94H149N7S — CID 157062805

IUPAC1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine
SMILESCC(C)c1ccccc1C(C)(C)C.CC(C)c1ccnc(C(C)C)c1C(C)C.CC(C)c1ncsc1C(C)C.CCc1nccc(C)c1C(C)C.Cc1cccc(C(C)C)c1C(C)C.Cc1ccnc(C(C)C)c1C(C)C.Cc1ccnc(C2CC2)c1C(C)C.Cc1cnn(C(C)C)c1C(C)C
InChIInChI=1S/C14H23N.2C13H20.C12H17N.C12H19N.C11H17N.C10H18N2.C9H15NS/c1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)12-8-6-7-11(5)13(12)10(3)4;1-8(2)11-9(3)6-7-13-12(11)10-4-5-10;1-8(2)11-10(5)6-7-13-12(11)9(3)4;1-5-10-11(8(2)3)9(4)6-7-12-10;1-7(2)10-9(5)6-11-12(10)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h7-11H,1-6H3;2*6-10H,1-5H3;6-8,10H,4-5H2,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3
InChIKeyABNFCNAJCDDSAW-UHFFFAOYSA-N
MW1409.34 g/mol
LogP29.19
Rot. Bonds16

About 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine

1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine (PubChem CID 157062805) has the molecular formula C94H149N7S and a molecular weight of 1409.34 g/mol. Its IUPAC name is 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine.

Molecular Properties

Compound Name1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine
PubChem CID157062805
Molecular FormulaC94H149N7S
Molecular Weight1409.34 g/mol
Exact Mass1408.16
IUPAC Name1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine
SMILESCC(C)c1ccccc1C(C)(C)C.CC(C)c1ccnc(C(C)C)c1C(C)C.CC(C)c1ncsc1C(C)C.CCc1nccc(C)c1C(C)C.Cc1cccc(C(C)C)c1C(C)C.Cc1ccnc(C(C)C)c1C(C)C.Cc1ccnc(C2CC2)c1C(C)C.Cc1cnn(C(C)C)c1C(C)C
InChIInChI=1S/C14H23N.2C13H20.C12H17N.C12H19N.C11H17N.C10H18N2.C9H15NS/c1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)12-8-6-7-11(5)13(12)10(3)4;1-8(2)11-9(3)6-7-13-12(11)10-4-5-10;1-8(2)11-10(5)6-7-13-12(11)9(3)4;1-5-10-11(8(2)3)9(4)6-7-12-10;1-7(2)10-9(5)6-11-12(10)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h7-11H,1-6H3;2*6-10H,1-5H3;6-8,10H,4-5H2,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3
InChIKeyABNFCNAJCDDSAW-UHFFFAOYSA-N
XLogP29.19
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001409.34
LogP ≤ 529.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine?
The IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine (CID 157062805) is 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine.
What is the SMILES notation for 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine?
The canonical SMILES for 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine is CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccnc(C(C)C)c1C(C)C.CC(C)c1ncsc1C(C)C.CCc1nccc(C)c1C(C)C.Cc1cccc(C(C)C)c1C(C)C.Cc1ccnc(C(C)C)c1C(C)C.Cc1ccnc(C2CC2)c1C(C)C.Cc1cnn(C(C)C)c1C(C)C.
What is the InChIKey of 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine?
The InChIKey is ABNFCNAJCDDSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.2C13H20.C12H17N.C12H19N.C11H17N.C10H18N2.C9H15NS/c1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)12-8-6-7-11(5)13(12)10(3)4;1-8(2)11-9(3)6-7-13-12(11)10-4-5-10;1-8(2)11-10(5)6-7-13-12(11)9(3)4;1-5-10-11(8(2)3)9(4)6-7-12-10;1-7(2)10-9(5)6-11-12(10)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8/h7-11H,1-6H3;2*6-10H,1-5H3;6-8,10H,4-5H2,1-3H3;6-9H,1-5H3;6-8H,5H2,1-4H3;6-8H,1-5H3;5-7H,1-4H3.
What are the key properties of 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine?
1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine has a molecular weight of 1409.34 g/mol, XLogP of 29.19, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-propan-2-ylbenzene;2-cyclopropyl-4-methyl-3-propan-2-ylpyridine;4,5-di(propan-2-yl)-1,3-thiazole;2-ethyl-4-methyl-3-propan-2-ylpyridine;1-methyl-2,3-di(propan-2-yl)benzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-2,3-di(propan-2-yl)pyridine;2,3,4-tri(propan-2-yl)pyridine is sourced from PubChem (CID 157062805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).