benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

C220H291N13O10 — CID 158241318

IUPACbenzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CCc2ccccc21.CC(C)c1ccc2c(c1)C(=O)CCC2.CC(C)c1ccc2c(c1)C(N)CC2.CC(C)c1ccc2c(c1)C(O)CCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCCC2=O.CC(C)c1ccc2c(c1)CCCC2O.CC(C)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2.CC(C)c1ccc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1cnc2c(c1)C(C)CC2.CC(C)c1cnc2c(c1)C(N)CC2.CC(C)c1cnc2c(c1)C(N)CCC2.CC(C)c1cnc2c(c1)C(NC(=O)OCc1ccccc1)CCC2
InChIInChI=1S/C20H24N2O2.2C20H23NO2.C13H18O.C13H16O.C13H18O.C13H16O.C13H18.C12H18N2.5C12H17N.C12H16.C11H16N2/c1-14(2)16-11-17-18(21-12-16)9-6-10-19(17)22-20(23)24-13-15-7-4-3-5-8-15;1-15(2)17-8-9-19-13-21(11-10-18(19)12-17)20(22)23-14-16-6-4-3-5-7-16;1-15(2)18-9-8-17-10-11-21(13-19(17)12-18)20(22)23-14-16-6-4-3-5-7-16;2*1-9(2)10-6-7-12-11(8-10)4-3-5-13(12)14;2*1-9(2)11-7-6-10-4-3-5-13(14)12(10)8-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-6-10-11(13)4-3-5-12(10)14-7-9;1-8(2)10-6-11-9(3)4-5-12(11)13-7-10;2*1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)10-4-3-9-5-6-12(13)11(9)7-10;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)8-5-9-10(12)3-4-11(9)13-6-8/h3-5,7-8,11-12,14,19H,6,9-10,13H2,1-2H3,(H,22,23);2*3-9,12,15H,10-11,13-14H2,1-2H3;6-9,13-14H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;6-9,13-14H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;7-10H,3-6H2,1-2H3;6-8,11H,3-5,13H2,1-2H3;6-9H,4-5H2,1-3H3;2*3-4,7,9,13H,5-6,8H2,1-2H3;3-4,7-8,12H,5-6,13H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;5-7,10H,3-4,12H2,1-2H3
InChIKeyGFONTVMSIJVSGR-UHFFFAOYSA-N
MW3277.83 g/mol
LogP52.38
Rot. Bonds23

About benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 158241318) has the molecular formula C220H291N13O10 and a molecular weight of 3277.83 g/mol. Its IUPAC name is benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Namebenzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID158241318
Molecular FormulaC220H291N13O10
Molecular Weight3277.83 g/mol
Exact Mass3275.27
IUPAC Namebenzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CCc2ccccc21.CC(C)c1ccc2c(c1)C(=O)CCC2.CC(C)c1ccc2c(c1)C(N)CC2.CC(C)c1ccc2c(c1)C(O)CCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCCC2=O.CC(C)c1ccc2c(c1)CCCC2O.CC(C)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2.CC(C)c1ccc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1cnc2c(c1)C(C)CC2.CC(C)c1cnc2c(c1)C(N)CC2.CC(C)c1cnc2c(c1)C(N)CCC2.CC(C)c1cnc2c(c1)C(NC(=O)OCc1ccccc1)CCC2
InChIInChI=1S/C20H24N2O2.2C20H23NO2.C13H18O.C13H16O.C13H18O.C13H16O.C13H18.C12H18N2.5C12H17N.C12H16.C11H16N2/c1-14(2)16-11-17-18(21-12-16)9-6-10-19(17)22-20(23)24-13-15-7-4-3-5-8-15;1-15(2)17-8-9-19-13-21(11-10-18(19)12-17)20(22)23-14-16-6-4-3-5-7-16;1-15(2)18-9-8-17-10-11-21(13-19(17)12-18)20(22)23-14-16-6-4-3-5-7-16;2*1-9(2)10-6-7-12-11(8-10)4-3-5-13(12)14;2*1-9(2)11-7-6-10-4-3-5-13(14)12(10)8-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-6-10-11(13)4-3-5-12(10)14-7-9;1-8(2)10-6-11-9(3)4-5-12(11)13-7-10;2*1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)10-4-3-9-5-6-12(13)11(9)7-10;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)8-5-9-10(12)3-4-11(9)13-6-8/h3-5,7-8,11-12,14,19H,6,9-10,13H2,1-2H3,(H,22,23);2*3-9,12,15H,10-11,13-14H2,1-2H3;6-9,13-14H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;6-9,13-14H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;7-10H,3-6H2,1-2H3;6-8,11H,3-5,13H2,1-2H3;6-9H,4-5H2,1-3H3;2*3-4,7,9,13H,5-6,8H2,1-2H3;3-4,7-8,12H,5-6,13H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;5-7,10H,3-4,12H2,1-2H3
InChIKeyGFONTVMSIJVSGR-UHFFFAOYSA-N
XLogP52.38
TPSA337.72 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003277.83
LogP ≤ 552.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline 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-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;6-benzyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;benzyl 2-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-7-yl)acetate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 158622710
benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84511536
benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 138492194
benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyridin-3-ylacetamide
CID 126768985
benzyl (2S,4S)-4-hydroxy-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 59415505
benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate
CID 133060815
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919669
benzyl N-(9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]azepin-5-yl)carbamate
CID 122401327
benzyl 2-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)acetate;benzyl 2-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)acetate;methanol
CID 160952058
benzyl 8-methoxy-5-oxo-3,4-dihydro-1H-2-benzazepine-2-carboxylate
CID 171988343
benzyl N-[1-[(7,8-dioxo-6,14,15-triazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-9-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 138731256

Frequently Asked Questions

What is the IUPAC name of benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 158241318) is benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is CC(C)C1CCc2ccccc21.CC(C)c1ccc2c(c1)C(=O)CCC2.CC(C)c1ccc2c(c1)C(N)CC2.CC(C)c1ccc2c(c1)C(O)CCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)CCCC2=O.CC(C)c1ccc2c(c1)CCCC2O.CC(C)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2.CC(C)c1ccc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1cnc2c(c1)C(C)CC2.CC(C)c1cnc2c(c1)C(N)CC2.CC(C)c1cnc2c(c1)C(N)CCC2.CC(C)c1cnc2c(c1)C(NC(=O)OCc1ccccc1)CCC2.
What is the InChIKey of benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is GFONTVMSIJVSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.2C20H23NO2.C13H18O.C13H16O.C13H18O.C13H16O.C13H18.C12H18N2.5C12H17N.C12H16.C11H16N2/c1-14(2)16-11-17-18(21-12-16)9-6-10-19(17)22-20(23)24-13-15-7-4-3-5-8-15;1-15(2)17-8-9-19-13-21(11-10-18(19)12-17)20(22)23-14-16-6-4-3-5-7-16;1-15(2)18-9-8-17-10-11-21(13-19(17)12-18)20(22)23-14-16-6-4-3-5-7-16;2*1-9(2)10-6-7-12-11(8-10)4-3-5-13(12)14;2*1-9(2)11-7-6-10-4-3-5-13(14)12(10)8-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-6-10-11(13)4-3-5-12(10)14-7-9;1-8(2)10-6-11-9(3)4-5-12(11)13-7-10;2*1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)10-4-3-9-5-6-12(13)11(9)7-10;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)8-5-9-10(12)3-4-11(9)13-6-8/h3-5,7-8,11-12,14,19H,6,9-10,13H2,1-2H3,(H,22,23);2*3-9,12,15H,10-11,13-14H2,1-2H3;6-9,13-14H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;6-9,13-14H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;7-10H,3-6H2,1-2H3;6-8,11H,3-5,13H2,1-2H3;6-9H,4-5H2,1-3H3;2*3-4,7,9,13H,5-6,8H2,1-2H3;3-4,7-8,12H,5-6,13H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;5-7,10H,3-4,12H2,1-2H3.
What are the key properties of benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3277.83 g/mol, XLogP of 52.38, 23 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;benzyl N-(3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl)carbamate;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;6-propan-2-yl-2,3-dihydro-1H-inden-1-amine;1-propan-2-yl-2,3-dihydro-1H-indene;6-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;bis(7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-ol;3-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-amine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158241318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).