6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane

C250H390ClN35O5 — CID 158174824

IUPAC6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(c1)CCC2=O.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccnc(N)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)CCC2.CC1=NCc2ccc(C(C)(C)C)cc21.CCCNc1nccc(C(C)(C)C)n1.CNc1ncc(C(C)(C)C)cc1OC.CNc1nccc(C(C)(C)C)n1.COc1cc(N)ncc1C(C)(C)C.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cnc1N.Cc1nc(C(C)(C)C)cnc1N.Cc1ncc(C(C)(C)C)cc1Cl.Cc1ncc(C(C)(C)C)cc1N
InChIInChI=1S/C13H17N.C13H16O.2C12H15N.C12H17N.2C12H15N.C12H14O.2C11H15N3.C11H19N3.C11H18N2O.C10H14ClN.C10H16N2O.2C10H16N2.C10H15NO.2C9H15N3.C9H14N2.2C9H13N.13CH4/c1-9-12-7-11(13(2,3)4)6-5-10(12)8-14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;3*1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-5-7-12-10-13-8-6-9(14-10)11(2,3)4;1-11(2,3)8-6-9(14-5)10(12-4)13-7-8;1-7-9(11)5-8(6-12-7)10(2,3)4;1-10(2,3)7-6-12-9(11)5-8(7)13-4;1-7-9(11)5-8(6-12-7)10(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-10(2,3)8-5-9(12-4)7-11-6-8;1-9(2,3)7-5-6-11-8(10-4)12-7;1-6-8(10)11-5-7(12-6)9(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;;;;;;;;;;;;;/h5-7H,8H2,1-4H3;5-6,8H,4,7H2,1-3H3;2*4-8,13H,1-3H3;7-8H,4-6H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3,(H3,12,13,14);6,8H,5,7H2,1-4H3,(H,12,13,14);6-7H,1-5H3,(H,12,13);5-6H,1-4H3;5-6H,1-4H3,(H2,11,12);5-6H,11H2,1-4H3;5-6H,1-4H3,(H2,11,12);5-7H,1-4H3;5-6H,1-4H3,(H,10,11,12);5H,1-4H3,(H2,10,11);4-6H,1-3H3,(H2,10,11);2*4-7H,1-3H3;13*1H4
InChIKeyFXWMGPAUFMQUFH-UHFFFAOYSA-N
MW4001.56 g/mol
LogP66.46
Rot. Bonds8

About 6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane

6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane (PubChem CID 158174824) has the molecular formula C250H390ClN35O5 and a molecular weight of 4001.56 g/mol. Its IUPAC name is 6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane.

Molecular Properties

Compound Name6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane
PubChem CID158174824
Molecular FormulaC250H390ClN35O5
Molecular Weight4001.56 g/mol
Exact Mass3998.10
IUPAC Name6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(c1)CCC2=O.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccnc(N)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)CCC2.CC1=NCc2ccc(C(C)(C)C)cc21.CCCNc1nccc(C(C)(C)C)n1.CNc1ncc(C(C)(C)C)cc1OC.CNc1nccc(C(C)(C)C)n1.COc1cc(N)ncc1C(C)(C)C.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cnc1N.Cc1nc(C(C)(C)C)cnc1N.Cc1ncc(C(C)(C)C)cc1Cl.Cc1ncc(C(C)(C)C)cc1N
InChIInChI=1S/C13H17N.C13H16O.2C12H15N.C12H17N.2C12H15N.C12H14O.2C11H15N3.C11H19N3.C11H18N2O.C10H14ClN.C10H16N2O.2C10H16N2.C10H15NO.2C9H15N3.C9H14N2.2C9H13N.13CH4/c1-9-12-7-11(13(2,3)4)6-5-10(12)8-14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;3*1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-5-7-12-10-13-8-6-9(14-10)11(2,3)4;1-11(2,3)8-6-9(14-5)10(12-4)13-7-8;1-7-9(11)5-8(6-12-7)10(2,3)4;1-10(2,3)7-6-12-9(11)5-8(7)13-4;1-7-9(11)5-8(6-12-7)10(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-10(2,3)8-5-9(12-4)7-11-6-8;1-9(2,3)7-5-6-11-8(10-4)12-7;1-6-8(10)11-5-7(12-6)9(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;;;;;;;;;;;;;/h5-7H,8H2,1-4H3;5-6,8H,4,7H2,1-3H3;2*4-8,13H,1-3H3;7-8H,4-6H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3,(H3,12,13,14);6,8H,5,7H2,1-4H3,(H,12,13,14);6-7H,1-5H3,(H,12,13);5-6H,1-4H3;5-6H,1-4H3,(H2,11,12);5-6H,11H2,1-4H3;5-6H,1-4H3,(H2,11,12);5-7H,1-4H3;5-6H,1-4H3,(H,10,11,12);5H,1-4H3,(H2,10,11);4-6H,1-3H3,(H2,10,11);2*4-7H,1-3H3;13*1H4
InChIKeyFXWMGPAUFMQUFH-UHFFFAOYSA-N
XLogP66.46
TPSA609.45 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds8
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004001.56
LogP ≤ 566.46
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Analyze 6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane?
The IUPAC name of 6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane (CID 158174824) is 6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane.
What is the SMILES notation for 6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane?
The canonical SMILES for 6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(c1)CCC2=O.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccnc(N)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)CCC2.CC1=NCc2ccc(C(C)(C)C)cc21.CCCNc1nccc(C(C)(C)C)n1.CNc1ncc(C(C)(C)C)cc1OC.CNc1nccc(C(C)(C)C)n1.COc1cc(N)ncc1C(C)(C)C.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cnc1N.Cc1nc(C(C)(C)C)cnc1N.Cc1ncc(C(C)(C)C)cc1Cl.Cc1ncc(C(C)(C)C)cc1N.
What is the InChIKey of 6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane?
The InChIKey is FXWMGPAUFMQUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C13H16O.2C12H15N.C12H17N.2C12H15N.C12H14O.2C11H15N3.C11H19N3.C11H18N2O.C10H14ClN.C10H16N2O.2C10H16N2.C10H15NO.2C9H15N3.C9H14N2.2C9H13N.13CH4/c1-9-12-7-11(13(2,3)4)6-5-10(12)8-14-9;1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;3*1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-5-7-12-10-13-8-6-9(14-10)11(2,3)4;1-11(2,3)8-6-9(14-5)10(12-4)13-7-8;1-7-9(11)5-8(6-12-7)10(2,3)4;1-10(2,3)7-6-12-9(11)5-8(7)13-4;1-7-9(11)5-8(6-12-7)10(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-10(2,3)8-5-9(12-4)7-11-6-8;1-9(2,3)7-5-6-11-8(10-4)12-7;1-6-8(10)11-5-7(12-6)9(2,3)4;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;;;;;;;;;;;;;/h5-7H,8H2,1-4H3;5-6,8H,4,7H2,1-3H3;2*4-8,13H,1-3H3;7-8H,4-6H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3,(H3,12,13,14);6,8H,5,7H2,1-4H3,(H,12,13,14);6-7H,1-5H3,(H,12,13);5-6H,1-4H3;5-6H,1-4H3,(H2,11,12);5-6H,11H2,1-4H3;5-6H,1-4H3,(H2,11,12);5-7H,1-4H3;5-6H,1-4H3,(H,10,11,12);5H,1-4H3,(H2,10,11);4-6H,1-3H3,(H2,10,11);2*4-7H,1-3H3;13*1H4.
What are the key properties of 6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane?
6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane has a molecular weight of 4001.56 g/mol, XLogP of 66.46, 8 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydroinden-1-one;bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1H-indole);5-tert-butyl-3-methoxy-N-methylpyridin-2-amine;5-tert-butyl-4-methoxypyridin-2-amine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-3-methylpyrazin-2-amine;5-tert-butyl-2-methylpyridin-3-amine;5-tert-butyl-3-methylpyridin-2-amine;4-tert-butyl-N-methylpyrimidin-2-amine;4-tert-butyl-N-propylpyrimidin-2-amine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine;methane is sourced from PubChem (CID 158174824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).