5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide

C150H214N10O7 — CID 158189043

IUPAC5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide
SMILESCC(=O)C1CCN(c2ccc(C(C)C)cc2)CC1.CC(=O)c1ccc(C(C)C)cc1.CC(C)N1CCc2ccccc2C1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCCC(O)C2)cc1.CC(C)c1ccc2c(c1)C(C)CC2.CC(C)c1ccc2c(c1)C(N)CC2.CC(C)c1cccc(C(=O)NN)c1.CC(C)c1cnc2c(c1)C(C)CC2.CCCCC(=O)c1cccc(C(C)C)c1.CCCNC(=O)c1ccc(C(C)C)cc1.Cc1ccncc1C(C)C
InChIInChI=1S/C16H23NO.2C14H21NO.C14H20O.C13H19NO.C13H18.3C12H17N.C11H14O.C10H14N2O.C9H13N/c1-12(2)14-4-6-16(7-5-14)17-10-8-15(9-11-17)13(3)18;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-5-7-13(8-6-12)15-9-3-4-14(16)10-15;1-4-5-9-14(15)13-8-6-7-12(10-13)11(2)3;1-4-9-14-13(15)12-7-5-11(6-8-12)10(2)3;1-9(2)12-7-6-11-5-4-10(3)13(11)8-12;1-8(2)10-6-11-9(3)4-5-12(11)13-7-10;1-8(2)10-4-3-9-5-6-12(13)11(9)7-10;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-4-3-5-9(6-8)10(13)12-11;1-7(2)9-6-10-5-4-8(9)3/h4-7,12,15H,8-11H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;5-8,11,14,16H,3-4,9-10H2,1-2H3;6-8,10-11H,4-5,9H2,1-3H3;5-8,10H,4,9H2,1-3H3,(H,14,15);6-10H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;3-4,7-8,12H,5-6,13H2,1-2H3;3-6,10H,7-9H2,1-2H3;4-8H,1-3H3;3-7H,11H2,1-2H3,(H,12,13);4-7H,1-3H3
InChIKeyFZMYSFGSCPGKDN-UHFFFAOYSA-N
MW2269.42 g/mol
LogP35.55
Rot. Bonds25

About 5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide

5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide (PubChem CID 158189043) has the molecular formula C150H214N10O7 and a molecular weight of 2269.42 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide
PubChem CID158189043
Molecular FormulaC150H214N10O7
Molecular Weight2269.42 g/mol
Exact Mass2267.67
IUPAC Name5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide
SMILESCC(=O)C1CCN(c2ccc(C(C)C)cc2)CC1.CC(=O)c1ccc(C(C)C)cc1.CC(C)N1CCc2ccccc2C1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCCC(O)C2)cc1.CC(C)c1ccc2c(c1)C(C)CC2.CC(C)c1ccc2c(c1)C(N)CC2.CC(C)c1cccc(C(=O)NN)c1.CC(C)c1cnc2c(c1)C(C)CC2.CCCCC(=O)c1cccc(C(C)C)c1.CCCNC(=O)c1ccc(C(C)C)cc1.Cc1ccncc1C(C)C
InChIInChI=1S/C16H23NO.2C14H21NO.C14H20O.C13H19NO.C13H18.3C12H17N.C11H14O.C10H14N2O.C9H13N/c1-12(2)14-4-6-16(7-5-14)17-10-8-15(9-11-17)13(3)18;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-5-7-13(8-6-12)15-9-3-4-14(16)10-15;1-4-5-9-14(15)13-8-6-7-12(10-13)11(2)3;1-4-9-14-13(15)12-7-5-11(6-8-12)10(2)3;1-9(2)12-7-6-11-5-4-10(3)13(11)8-12;1-8(2)10-6-11-9(3)4-5-12(11)13-7-10;1-8(2)10-4-3-9-5-6-12(13)11(9)7-10;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-4-3-5-9(6-8)10(13)12-11;1-7(2)9-6-10-5-4-8(9)3/h4-7,12,15H,8-11H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;5-8,11,14,16H,3-4,9-10H2,1-2H3;6-8,10-11H,4-5,9H2,1-3H3;5-8,10H,4,9H2,1-3H3,(H,14,15);6-10H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;3-4,7-8,12H,5-6,13H2,1-2H3;3-6,10H,7-9H2,1-2H3;4-8H,1-3H3;3-7H,11H2,1-2H3,(H,12,13);4-7H,1-3H3
InChIKeyFZMYSFGSCPGKDN-UHFFFAOYSA-N
XLogP35.55
TPSA240.65 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002269.42
LogP ≤ 535.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide?
The IUPAC name of 5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide (CID 158189043) is 5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide is CC(=O)C1CCN(c2ccc(C(C)C)cc2)CC1.CC(=O)c1ccc(C(C)C)cc1.CC(C)N1CCc2ccccc2C1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCCC(O)C2)cc1.CC(C)c1ccc2c(c1)C(C)CC2.CC(C)c1ccc2c(c1)C(N)CC2.CC(C)c1cccc(C(=O)NN)c1.CC(C)c1cnc2c(c1)C(C)CC2.CCCCC(=O)c1cccc(C(C)C)c1.CCCNC(=O)c1ccc(C(C)C)cc1.Cc1ccncc1C(C)C.
What is the InChIKey of 5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide?
The InChIKey is FZMYSFGSCPGKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.2C14H21NO.C14H20O.C13H19NO.C13H18.3C12H17N.C11H14O.C10H14N2O.C9H13N/c1-12(2)14-4-6-16(7-5-14)17-10-8-15(9-11-17)13(3)18;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-5-7-13(8-6-12)15-9-3-4-14(16)10-15;1-4-5-9-14(15)13-8-6-7-12(10-13)11(2)3;1-4-9-14-13(15)12-7-5-11(6-8-12)10(2)3;1-9(2)12-7-6-11-5-4-10(3)13(11)8-12;1-8(2)10-6-11-9(3)4-5-12(11)13-7-10;1-8(2)10-4-3-9-5-6-12(13)11(9)7-10;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-4-3-5-9(6-8)10(13)12-11;1-7(2)9-6-10-5-4-8(9)3/h4-7,12,15H,8-11H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;5-8,11,14,16H,3-4,9-10H2,1-2H3;6-8,10-11H,4-5,9H2,1-3H3;5-8,10H,4,9H2,1-3H3,(H,14,15);6-10H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;3-4,7-8,12H,5-6,13H2,1-2H3;3-6,10H,7-9H2,1-2H3;4-8H,1-3H3;3-7H,11H2,1-2H3,(H,12,13);4-7H,1-3H3.
What are the key properties of 5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide?
5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide has a molecular weight of 2269.42 g/mol, XLogP of 35.55, 25 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylbenzohydrazide;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone;4-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 158189043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).