2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane

C143H251N9O2S — CID 158755663

IUPAC2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane
SMILESCC.CC(C)(C)C1CN(C(C)(C)C)CCO1.CC(C)(C)c1ccc(C(C)(C)C)o1.CC(C)(C)c1ccc(C(C)(C)C)s1.CC(C)(C)c1ccc2c(c1)CN(C(C)(C)C)CC2.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/C17H27N.C12H25NO.C12H20O.C12H20S.2C12H18.C11H17N.2C11H23N.C11H21N.C11H17N.C9H16N2.C2H6/c1-16(2,3)15-8-7-13-9-10-18(17(4,5)6)12-14(13)11-15;1-11(2,3)10-9-13(7-8-14-10)12(4,5)6;2*1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(9(3)4)7-12-6-10;3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-2/h7-8,11H,9-10,12H2,1-6H3;10H,7-9H2,1-6H3;2*7-8H,1-6H3;2*5-10H,1-4H3;5-9H,1-4H3;2*9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;1-2H3
InChIKeyIOAUIFMUBKMNOW-UHFFFAOYSA-N
MW2160.71 g/mol
LogP41.24
Rot. Bonds16

About 2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane

2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane (PubChem CID 158755663) has the molecular formula C143H251N9O2S and a molecular weight of 2160.71 g/mol. Its IUPAC name is 2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane.

Molecular Properties

Compound Name2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane
PubChem CID158755663
Molecular FormulaC143H251N9O2S
Molecular Weight2160.71 g/mol
Exact Mass2158.95
IUPAC Name2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane
SMILESCC.CC(C)(C)C1CN(C(C)(C)C)CCO1.CC(C)(C)c1ccc(C(C)(C)C)o1.CC(C)(C)c1ccc(C(C)(C)C)s1.CC(C)(C)c1ccc2c(c1)CN(C(C)(C)C)CC2.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/C17H27N.C12H25NO.C12H20O.C12H20S.2C12H18.C11H17N.2C11H23N.C11H21N.C11H17N.C9H16N2.C2H6/c1-16(2,3)15-8-7-13-9-10-18(17(4,5)6)12-14(13)11-15;1-11(2,3)10-9-13(7-8-14-10)12(4,5)6;2*1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(9(3)4)7-12-6-10;3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-2/h7-8,11H,9-10,12H2,1-6H3;10H,7-9H2,1-6H3;2*7-8H,1-6H3;2*5-10H,1-4H3;5-9H,1-4H3;2*9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;1-2H3
InChIKeyIOAUIFMUBKMNOW-UHFFFAOYSA-N
XLogP41.24
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002160.71
LogP ≤ 541.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane with MolForge

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

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-(4-methylphenyl)aniline;2-(4-ethylphenyl)-5-methylthiophene;2-(4-methoxyphenyl)-5-methylthiophene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;1-methyl-3-phenylbenzene;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1-methyl-4-(trifluoromethoxy)benzene
CID 161982733
2,3-Di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 157125478
2-(4-Ethylphenyl)-5-methylthiophene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene;1,4-xylene
CID 157476410
2,3-Di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);7,8-di(propan-2-yl)isoquinoline;1,2-di(propan-2-yl)naphthalene;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline;methane
CID 158084978
2-Tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine
CID 158250803
2,5-di(propan-2-yl)furan;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)thiophene;1-methyl-3,5-di(propan-2-yl)pyrazole;4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine;5-propan-2-yl-2-(5-propan-2-yl-2-pyridinyl)pyridine
CID 158490540
1,3-Dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,6-dimethylisoquinoline;1,7-dimethylisoquinoline;1,8-dimethylisoquinoline;3,4-dimethylisoquinoline;3,5-dimethylisoquinoline;3,6-dimethylisoquinoline;3,7-dimethylisoquinoline;3,8-dimethylisoquinoline;4,5-dimethylisoquinoline;4,6-dimethylisoquinoline;4,7-dimethylisoquinoline;4,8-dimethylisoquinoline;5,6-dimethylisoquinoline;5,7-dimethylisoquinoline;5,8-dimethylisoquinoline;6,7-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene
CID 158769461
3-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-3-propan-2-ylpyridine;2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;1,3-ditert-butylpyrrolidine;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane
CID 158840522
N,N-dimethyl-4-(4-methylphenyl)aniline;2-(4-ethylphenyl)-5-methylthiophene;methane;1-methyl-2-(4-methylphenyl)benzene;1-methyl-4-phenoxybenzene;4-(4-methylphenyl)aniline;1-methyl-3-phenylbenzene;4-(4-methylphenyl)morpholine;(4-methylphenyl)-phenylmethanone;1-(4-methylphenyl)pyrazole;2-methyl-5-phenylpyridine;2-methyl-5-phenylthiophene
CID 159989866
1-Tert-butyl-2-(3,3-dimethylbutyl)benzene;3-tert-butyl-6-(3,3-dimethylbutyl)pyridazine;5-tert-butyl-3-(3,3-dimethylbutyl)pyridazine;4-tert-butyl-5-(3,3-dimethylbutyl)-1,3-thiazole;1-tert-butyl-4-(6,6-dimethylheptyl)benzene;2-tert-butyl-5-(5,5-dimethylhexyl)pyrazine;1-tert-butyl-3-(4,4-dimethylpentyl)benzene;2-tert-butyl-4-(2,2-dimethylpropyl)furan;2-tert-butyl-6-(2,2-dimethylpropyl)pyridine
CID 160206602
3-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-3-propan-2-ylpyridine;2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;1,3-ditert-butylpyrrolidine;2,4-ditert-butyl-1,3-thiazole;bis(2,4-ditert-butylthiophene);2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane
CID 160393421
2,3-Di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline
CID 160781174

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane?
The IUPAC name of 2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane (CID 158755663) is 2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane.
What is the SMILES notation for 2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane?
The canonical SMILES for 2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane is CC.CC(C)(C)C1CN(C(C)(C)C)CCO1.CC(C)(C)c1ccc(C(C)(C)C)o1.CC(C)(C)c1ccc(C(C)(C)C)s1.CC(C)(C)c1ccc2c(c1)CN(C(C)(C)C)CC2.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.
What is the InChIKey of 2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane?
The InChIKey is IOAUIFMUBKMNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C12H25NO.C12H20O.C12H20S.2C12H18.C11H17N.2C11H23N.C11H21N.C11H17N.C9H16N2.C2H6/c1-16(2,3)15-8-7-13-9-10-18(17(4,5)6)12-14(13)11-15;1-11(2,3)10-9-13(7-8-14-10)12(4,5)6;2*1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(9(3)4)7-12-6-10;3*1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-2/h7-8,11H,9-10,12H2,1-6H3;10H,7-9H2,1-6H3;2*7-8H,1-6H3;2*5-10H,1-4H3;5-9H,1-4H3;2*9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;1-2H3.
What are the key properties of 2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane?
2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane has a molecular weight of 2160.71 g/mol, XLogP of 41.24, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-3,4-dihydro-1H-isoquinoline;2,5-ditert-butylfuran;2,4-ditert-butylmorpholine;2,5-ditert-butylthiophene;bis(1,3-di(propan-2-yl)benzene);1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;bis(1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)pyrazole;2,4-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane is sourced from PubChem (CID 158755663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).