tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane

C121H216FN11O — CID 158804327

IUPACtert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane
SMILESCC(C)(C)C.CC(C)(C)C1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc(F)c1.CC(C)(C)c1ccnnc1.CN1CCN(C(C)(C)C)CC1.Cn1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C13H17N.C13H16.C11H22.C10H20.C10H14.C9H12FN.C9H20N2.C9H19N.C8H18N2.C8H12N2.C8H17NO.C8H17N.C5H12/c1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-11(2,3)9-10-7-5-4-6-8-10;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-5(2,3)4/h5-9H,1-4H3;4-5,7-9H,6H2,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-6H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;1-4H3
InChIKeyITWLPULVNLDQFC-UHFFFAOYSA-N
MW1860.13 g/mol
LogP30.96
Rot. Bonds1

About tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane

tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane (PubChem CID 158804327) has the molecular formula C121H216FN11O and a molecular weight of 1860.13 g/mol. Its IUPAC name is tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane.

Molecular Properties

Compound Nametert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane
PubChem CID158804327
Molecular FormulaC121H216FN11O
Molecular Weight1860.13 g/mol
Exact Mass1858.72
IUPAC Nametert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane
SMILESCC(C)(C)C.CC(C)(C)C1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc(F)c1.CC(C)(C)c1ccnnc1.CN1CCN(C(C)(C)C)CC1.Cn1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C13H17N.C13H16.C11H22.C10H20.C10H14.C9H12FN.C9H20N2.C9H19N.C8H18N2.C8H12N2.C8H17NO.C8H17N.C5H12/c1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-11(2,3)9-10-7-5-4-6-8-10;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-5(2,3)4/h5-9H,1-4H3;4-5,7-9H,6H2,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-6H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;1-4H3
InChIKeyITWLPULVNLDQFC-UHFFFAOYSA-N
XLogP30.96
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001860.13
LogP ≤ 530.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole
CID 157486596
1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
CID 158155255
6-(2-Methylindazol-5-yl)-2-(1-methylpiperidin-4-yl)quinoline;3-(2-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline;4-methyl-6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline
CID 158959919
5-(2,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;5-(3,5-dimethylphenyl)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;1-methyl-6-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]indazole;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1,3,5-trimethylpyrazol-4-yl)-7H-cyclopenta[b]pyridine
CID 159716362
tert-butylbenzene;tert-butylcyclohexane;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butyl-2-methylpyridine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;3-tert-butylpyridine;1-tert-butylpyrrolidine;4-tert-butylthiomorpholine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane
CID 160105532
1-tert-butyl-4-(2-tert-butyl-4-propan-2-ylphenyl)pyrazole;8-tert-butyl-4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;N-tert-butyl-N-methyl-3-propan-2-ylindole-1-sulfonamide;N-tert-butyl-3-propan-2-ylindole-1-sulfonamide;4-(2-tert-butyl-4-propan-2-ylphenyl)-1-ethyl-5-methylpyrazole;4-[(2-tert-butyl-4-propan-2-ylphenyl)methyl]-3,3-dimethylmorpholine;1-(2-tert-butyl-4-propan-2-ylphenyl)piperidine;2-(2-tert-butyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrrole;8-tert-butyl-1,4,4-trimethyl-2-methylidene-6-propan-2-yl-3H-quinoline;N-cyclohexyl-3-propan-2-ylindole-1-sulfonamide;2-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;6-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;7-methyl-1-piperidin-1-ylsulfonyl-3-propan-2-ylindole;1-piperidin-1-ylsulfonyl-3-propan-2-ylindole
CID 160708331
7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline
CID 167609281
N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine;N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine;N-[(3,5-difluorophenyl)methyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-5-amine
CID 167643272
CID 168320380
CID 168320380

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane?
The IUPAC name of tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane (CID 158804327) is tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane.
What is the SMILES notation for tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane?
The canonical SMILES for tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane is CC(C)(C)C.CC(C)(C)C1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc(F)c1.CC(C)(C)c1ccnnc1.CN1CCN(C(C)(C)C)CC1.Cn1ccc2ccc(C(C)(C)C)cc21.
What is the InChIKey of tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane?
The InChIKey is ITWLPULVNLDQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C13H16.C11H22.C10H20.C10H14.C9H12FN.C9H20N2.C9H19N.C8H18N2.C8H12N2.C8H17NO.C8H17N.C5H12/c1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-11(2,3)9-10-7-5-4-6-8-10;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-5(2,3)4/h5-9H,1-4H3;4-5,7-9H,6H2,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;5-8H2,1-4H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-6H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;1-4H3.
What are the key properties of tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane?
tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane has a molecular weight of 1860.13 g/mol, XLogP of 30.96, 1 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;tert-butylcyclohexane;4-tert-butyl-2-fluoropyridine;6-tert-butyl-1H-indene;6-tert-butyl-1-methylindole;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridazine;1-tert-butylpyrrolidine;2,2-dimethylpropane;2,2-dimethylpropylcyclohexane is sourced from PubChem (CID 158804327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).