1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane

C250H518N16OS2 — CID 157114795

IUPAC1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1(C(C)C)CCCC1.CC(C)C12CC(C(C)C)(C1)C2.CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)C1CNC(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1csc(C(C)C)c1
InChIInChI=1S/2C12H24.2C11H23N.2C11H17N.C11H23N.C11H20.C11H22.C10H22N2.2C10H16N2.4C10H21N.C10H16O.2C10H16S.C9H19N.20C2H6/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(6-10,7-10)9(3)4;1-9(2)11(10(3)4)7-5-6-8-11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-10(8(3)4)11-6-9;2*1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(6-9)8(3)4;20*1-2/h2*9-12H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;2*5-9H,1-4H3;9-11H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;2*5-8H,1-4H3;7-11H,5-6H2,1-4H3;3*8-10H,5-7H2,1-4H3;3*5-8H,1-4H3;7-9H,5-6H2,1-4H3;20*1-2H3
InChIKeyAHGOZUUHXHTSPN-UHFFFAOYSA-N
MW3829.14 g/mol
LogP80.91
Rot. Bonds40

About 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane

1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane (PubChem CID 157114795) has the molecular formula C250H518N16OS2 and a molecular weight of 3829.14 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane.

Molecular Properties

Compound Name1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane
PubChem CID157114795
Molecular FormulaC250H518N16OS2
Molecular Weight3829.14 g/mol
Exact Mass3826.04
IUPAC Name1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1(C(C)C)CCCC1.CC(C)C12CC(C(C)C)(C1)C2.CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)C1CNC(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1csc(C(C)C)c1
InChIInChI=1S/2C12H24.2C11H23N.2C11H17N.C11H23N.C11H20.C11H22.C10H22N2.2C10H16N2.4C10H21N.C10H16O.2C10H16S.C9H19N.20C2H6/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(6-10,7-10)9(3)4;1-9(2)11(10(3)4)7-5-6-8-11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-10(8(3)4)11-6-9;2*1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(6-9)8(3)4;20*1-2/h2*9-12H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;2*5-9H,1-4H3;9-11H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;2*5-8H,1-4H3;7-11H,5-6H2,1-4H3;3*8-10H,5-7H2,1-4H3;3*5-8H,1-4H3;7-9H,5-6H2,1-4H3;20*1-2H3
InChIKeyAHGOZUUHXHTSPN-UHFFFAOYSA-N
XLogP80.91
TPSA131.67 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds40
Heavy Atoms269
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003829.14
LogP ≤ 580.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane with MolForge

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Related Compounds

[2-[4-[5-(azanidylidenemethylidene)indol-2-yl]-6-(3,5-dihexylthiophen-2-yl)-1,3,5-triazin-2-yl]indol-5-ylidene]methylideneazanide;2-(4-methylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158118973
methane;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;bis(4-propan-2-yl-2H-triazole)
CID 157055801
Ethane;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2,3,5-trimethyl-6-(4-methylphenyl)thieno[3,2-b]thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
CID 157108959
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157116552
1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,4-ditert-butyl-3H-pyrrole;3,5-ditert-butyl-2H-pyrrole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene
CID 157182796
cumene;2-hydrazinylidene-4-methylpentan-1-imine;docosakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;4-(2-methylpropyl)-1,2,4-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157284470
cumene;icosakis(2-methylpropane);2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;4-propan-2-yl-1,2,4-triazole
CID 157318180
1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,5-ditert-butylpyridine;bis(4,6-ditert-butyl-1H-pyridin-2-one);2,5-ditert-butylpyrimidine;2,4-ditert-butyl-3H-pyrrole;3,5-ditert-butyl-2H-pyrrole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene
CID 157388799
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157482357
Ethane;2-methyl-5-(4-methylphenyl)furan;1-methyl-3-(4-methylphenyl)pyrazole;3-methyl-1-(4-methylphenyl)pyrazole;2-methyl-5-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyridine;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-2-(4-methylphenyl)-1,3-thiazole;2-methyl-5-(4-methylphenyl)thiophene;3-methyl-4-(4-methylphenyl)thiophene;2,3,6-trimethyl-5-(4-methylphenyl)thieno[3,2-b]thiophene
CID 157506414
2-Tert-butylfuran;3-tert-butylfuran;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butylthiophene;3-tert-butylthiophene;ethane
CID 157547111
cumene;2,3-dimethylbutane;N,N-dimethylpropan-2-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-(2-fluoro-5-propan-2-ylphenyl)-N,N-dimethylmethanamine;methane;2-methylbutane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;3-propan-2-ylfuran;2-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene;1-propan-2-yl-3-[(3S)-3,4,4-trimethylpentyl]benzene;2,2,3-trimethylbutane
CID 157577189

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane?
The IUPAC name of 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane (CID 157114795) is 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane.
What is the SMILES notation for 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane?
The canonical SMILES for 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1(C(C)C)CCCC1.CC(C)C12CC(C(C)C)(C1)C2.CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.CC(C)C1CNC(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1csc(C(C)C)c1.
What is the InChIKey of 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane?
The InChIKey is AHGOZUUHXHTSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24.2C11H23N.2C11H17N.C11H23N.C11H20.C11H22.C10H22N2.2C10H16N2.4C10H21N.C10H16O.2C10H16S.C9H19N.20C2H6/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-11(6-10,7-10)9(3)4;1-9(2)11(10(3)4)7-5-6-8-11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-10(8(3)4)11-6-9;2*1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(6-9)8(3)4;20*1-2/h2*9-12H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;2*5-9H,1-4H3;9-11H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;2*5-8H,1-4H3;7-11H,5-6H2,1-4H3;3*8-10H,5-7H2,1-4H3;3*5-8H,1-4H3;7-9H,5-6H2,1-4H3;20*1-2H3.
What are the key properties of 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane?
1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane has a molecular weight of 3829.14 g/mol, XLogP of 80.91, 40 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;1,1-di(propan-2-yl)cyclopentane;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrolidine;bis(1,3-di(propan-2-yl)pyrrolidine);2,4-di(propan-2-yl)pyrrolidine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;ethane is sourced from PubChem (CID 157114795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).