5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline

C154H210N10O5S2 — CID 160944541

IUPAC5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)C1CCCc2ncccc21.CC(C)C1COCc2ccccc21.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2N1.CC(C)C1Cc2cccnc2C1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1ccc2c(n1)NCC2.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C12H17N.2C12H16O.2C12H16.C11H15NO.4C11H15N.C10H14N2.C10H15NS.C10H12O2.C9H13NS/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)9-10-7-4-3-5-8(7)11-9/h4,6,8-10H,3,5,7H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;6-9H,3-5H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;6-8H,3-5H2,1-2H3;3-6,8,11-12H,7H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,11,12);7H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeySUYDDQUJIBJKBO-UHFFFAOYSA-N
MW2345.57 g/mol
LogP38.85
Rot. Bonds14

About 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline

5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 160944541) has the molecular formula C154H210N10O5S2 and a molecular weight of 2345.57 g/mol. Its IUPAC name is 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline
PubChem CID160944541
Molecular FormulaC154H210N10O5S2
Molecular Weight2345.57 g/mol
Exact Mass2343.59
IUPAC Name5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)C1CCCc2ncccc21.CC(C)C1COCc2ccccc21.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2N1.CC(C)C1Cc2cccnc2C1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1ccc2c(n1)NCC2.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C12H17N.2C12H16O.2C12H16.C11H15NO.4C11H15N.C10H14N2.C10H15NS.C10H12O2.C9H13NS/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)9-10-7-4-3-5-8(7)11-9/h4,6,8-10H,3,5,7H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;6-9H,3-5H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;6-8H,3-5H2,1-2H3;3-6,8,11-12H,7H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,11,12);7H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeySUYDDQUJIBJKBO-UHFFFAOYSA-N
XLogP38.85
TPSA172.47 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002345.57
LogP ≤ 538.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

methane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole
CID 157087720
5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 157180881
methane;5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;bis(2-propan-2-yl-2,3-dihydro-1H-indene);bis(5-propan-2-yl-2,3-dihydro-1H-indene);2-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 158157773
5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole
CID 159663721
5-propan-2-yl-1,3-benzodioxole;bis(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine);6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-4,7-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;5-propan-2-yl-6,8-dihydro-5H-pyrano[3,4-b]pyridine;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;1-propan-2-yl-3,4-dihydro-2H-quinoline;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;1-propan-2-yl-4,5,6,7-tetrahydroindole;2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 160226641

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline (CID 160944541) is 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline is CC(C)C1CCCc2ncccc21.CC(C)C1COCc2ccccc21.CC(C)C1Cc2ccccc2C1.CC(C)C1Cc2ccccc2N1.CC(C)C1Cc2cccnc2C1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2c(n1)CCC2.CC(C)c1ccc2c(n1)CCOC2.CC(C)c1ccc2c(n1)NCC2.CC(C)c1nc2c(s1)CCC2.CC(C)c1nc2c(s1)CCCC2.
What is the InChIKey of 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is SUYDDQUJIBJKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C12H16O.2C12H16.C11H15NO.4C11H15N.C10H14N2.C10H15NS.C10H12O2.C9H13NS/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)10-4-3-9-7-13-6-5-11(9)12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)9-10-7-4-3-5-8(7)11-9/h4,6,8-10H,3,5,7H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;6-9H,3-5H2,1-2H3;3-6,9,12H,7-8H2,1-2H3;3-4,8H,5-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-5,8,10H,6-7H2,1-2H3;6-8H,3-5H2,1-2H3;3-6,8,11-12H,7H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,11,12);7H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline?
5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 2345.57 g/mol, XLogP of 38.85, 14 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-1H-isochromene;2-propan-2-yl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;6-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 160944541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).