tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine

C239H347Cl5F7IN36O3 — CID 167635378

IUPACtert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1cccnc1.CC(C)(C)c1c(Cl)cccc1Cl.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1C#N.CC(C)(C)c1ccncc1I.CC(C)(C)c1cnccc1Cl.CN(C)c1cc(C(C)(C)C)cnn1.CN1CCN(c2cc(C(C)(C)C)ccn2)CC1.CN1CCN(c2cc(C(C)(C)C)cnn2)CC1.CN1CCN(c2cnncc2C(C)(C)C)CC1.COc1cc(C(C)(C)C)cnn1.COc1ccncc1C(C)(C)C.COc1ncccc1C(C)(C)C.Cc1cc(C(C)(C)C)cnn1.Cc1cc(C(C)(C)C)cnn1.Cc1nnccc1C(C)(C)C
InChIInChI=1S/C14H23N3.2C13H22N4.C11H13F3.C10H12Cl2.C10H13Cl.C10H12F3N.C10H17N3.C10H12N2.2C10H15NO.C10H15N.C10H14.2C9H12ClN.C9H12FN.C9H12IN.C9H14N2O.3C9H14N2.2C9H13N.C8H12N2/c1-14(2,3)12-5-6-15-13(11-12)17-9-7-16(4)8-10-17;1-13(2,3)11-9-14-15-10-12(11)17-7-5-16(4)6-8-17;1-13(2,3)11-9-12(15-14-10-11)17-7-5-16(4)6-8-17;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)8-6-9(13(4)5)12-11-7-8;1-10(2,3)9-4-5-12-7-8(9)6-11;1-10(2,3)8-7-11-6-5-9(8)12-4;1-10(2,3)8-6-5-7-11-9(8)12-4;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-6-11-5-4-8(7)10;2*1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-5-8(12-4)11-10-6-7;2*1-7-5-8(6-10-11-7)9(2,3)4;1-7-8(9(2,3)4)5-6-10-11-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-10-7/h5-6,11H,7-10H2,1-4H3;2*9-10H,5-8H2,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;6-7H,1-5H3;4-5,7H,1-3H3;2*5-7H,1-4H3;4-6,8H,7H2,1-3H3;4-8H,1-3H3;4*4-6H,1-3H3;5-6H,1-4H3;3*5-6H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyOKBGWPAELWUESR-UHFFFAOYSA-N
MW4209.81 g/mol
LogP61.16
Rot. Bonds8

About tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine

tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine (PubChem CID 167635378) has the molecular formula C239H347Cl5F7IN36O3 and a molecular weight of 4209.81 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Nametert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine
PubChem CID167635378
Molecular FormulaC239H347Cl5F7IN36O3
Molecular Weight4209.81 g/mol
Exact Mass4204.55
IUPAC Nametert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1cccnc1.CC(C)(C)c1c(Cl)cccc1Cl.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1C#N.CC(C)(C)c1ccncc1I.CC(C)(C)c1cnccc1Cl.CN(C)c1cc(C(C)(C)C)cnn1.CN1CCN(c2cc(C(C)(C)C)ccn2)CC1.CN1CCN(c2cc(C(C)(C)C)cnn2)CC1.CN1CCN(c2cnncc2C(C)(C)C)CC1.COc1cc(C(C)(C)C)cnn1.COc1ccncc1C(C)(C)C.COc1ncccc1C(C)(C)C.Cc1cc(C(C)(C)C)cnn1.Cc1cc(C(C)(C)C)cnn1.Cc1nnccc1C(C)(C)C
InChIInChI=1S/C14H23N3.2C13H22N4.C11H13F3.C10H12Cl2.C10H13Cl.C10H12F3N.C10H17N3.C10H12N2.2C10H15NO.C10H15N.C10H14.2C9H12ClN.C9H12FN.C9H12IN.C9H14N2O.3C9H14N2.2C9H13N.C8H12N2/c1-14(2,3)12-5-6-15-13(11-12)17-9-7-16(4)8-10-17;1-13(2,3)11-9-14-15-10-12(11)17-7-5-16(4)6-8-17;1-13(2,3)11-9-12(15-14-10-11)17-7-5-16(4)6-8-17;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)8-6-9(13(4)5)12-11-7-8;1-10(2,3)9-4-5-12-7-8(9)6-11;1-10(2,3)8-7-11-6-5-9(8)12-4;1-10(2,3)8-6-5-7-11-9(8)12-4;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-6-11-5-4-8(7)10;2*1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-5-8(12-4)11-10-6-7;2*1-7-5-8(6-10-11-7)9(2,3)4;1-7-8(9(2,3)4)5-6-10-11-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-10-7/h5-6,11H,7-10H2,1-4H3;2*9-10H,5-8H2,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;6-7H,1-5H3;4-5,7H,1-3H3;2*5-7H,1-4H3;4-6,8H,7H2,1-3H3;4-8H,1-3H3;4*4-6H,1-3H3;5-6H,1-4H3;3*5-6H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyOKBGWPAELWUESR-UHFFFAOYSA-N
XLogP61.16
TPSA435.08 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds8
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004209.81
LogP ≤ 561.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine?
The IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine (CID 167635378) is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine.
What is the SMILES notation for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine?
The canonical SMILES for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine is CC(C)(C)Cc1cccnc1.CC(C)(C)c1c(Cl)cccc1Cl.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1C#N.CC(C)(C)c1ccncc1I.CC(C)(C)c1cnccc1Cl.CN(C)c1cc(C(C)(C)C)cnn1.CN1CCN(c2cc(C(C)(C)C)ccn2)CC1.CN1CCN(c2cc(C(C)(C)C)cnn2)CC1.CN1CCN(c2cnncc2C(C)(C)C)CC1.COc1cc(C(C)(C)C)cnn1.COc1ccncc1C(C)(C)C.COc1ncccc1C(C)(C)C.Cc1cc(C(C)(C)C)cnn1.Cc1cc(C(C)(C)C)cnn1.Cc1nnccc1C(C)(C)C.
What is the InChIKey of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine?
The InChIKey is OKBGWPAELWUESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.2C13H22N4.C11H13F3.C10H12Cl2.C10H13Cl.C10H12F3N.C10H17N3.C10H12N2.2C10H15NO.C10H15N.C10H14.2C9H12ClN.C9H12FN.C9H12IN.C9H14N2O.3C9H14N2.2C9H13N.C8H12N2/c1-14(2,3)12-5-6-15-13(11-12)17-9-7-16(4)8-10-17;1-13(2,3)11-9-14-15-10-12(11)17-7-5-16(4)6-8-17;1-13(2,3)11-9-12(15-14-10-11)17-7-5-16(4)6-8-17;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)8-6-9(13(4)5)12-11-7-8;1-10(2,3)9-4-5-12-7-8(9)6-11;1-10(2,3)8-7-11-6-5-9(8)12-4;1-10(2,3)8-6-5-7-11-9(8)12-4;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-6-11-5-4-8(7)10;2*1-9(2,3)7-5-4-6-11-8(7)10;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-5-8(12-4)11-10-6-7;2*1-7-5-8(6-10-11-7)9(2,3)4;1-7-8(9(2,3)4)5-6-10-11-7;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-10-7/h5-6,11H,7-10H2,1-4H3;2*9-10H,5-8H2,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;6-7H,1-5H3;4-5,7H,1-3H3;2*5-7H,1-4H3;4-6,8H,7H2,1-3H3;4-8H,1-3H3;4*4-6H,1-3H3;5-6H,1-4H3;3*5-6H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine?
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine has a molecular weight of 4209.81 g/mol, XLogP of 61.16, 8 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;5-tert-butyl-3-methoxypyridazine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;4-tert-butyl-5-(4-methylpiperazin-1-yl)pyridazine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;4-tert-butyl-3-methylpyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 167635378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).