tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine

C196H264ClF4N21O5 — CID 157230385

IUPACtert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine
SMILESC=Cc1cccnc1C(C)C.CC(C)c1cc(C2CC2)ccn1.CC(C)c1ccc(C2CC2)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ncccc1C1CC1.COC[C@]1(C)CCCc2cccnc21.COc1ccc(C(C)C)nc1.C[C@@H](CCCCCC(=O)OC(C)(C)C)c1ccccn1.C[C@@H](CCCCN)c1ccccn1.C[C@@H](CCCN)c1ccccn1.C[C@@H]1c2ncccc2CCC12CC2.C[C@@]1(C#N)CCCc2cccnc21.C[C@@]1(CO)CCCc2cccnc21.C[C@H]1CC2(CC2)Cc2cccnc21.C[C@H]1CCC(F)(F)c2cccnc21.C[C@H]1CCC2(CC2)c2cccnc21.C[C@H]1CCCc2cc(F)cnc21
InChIInChI=1S/C17H27NO2.C12H17NO.3C12H15N.C11H12N2.C11H18N2.C11H15NO.3C11H15N.C10H11F2N.C10H12FN.C10H16N2.C10H13N.C9H13NO.C8H10ClN.C8H10FN/c1-14(15-11-8-9-13-18-15)10-6-5-7-12-16(19)20-17(2,3)4;1-12(9-14-2)7-3-5-10-6-4-8-13-11(10)12;1-9-11-10(3-2-8-13-11)4-5-12(9)6-7-12;1-9-4-5-12(6-7-12)10-3-2-8-13-11(9)10;1-9-7-12(4-5-12)8-10-3-2-6-13-11(9)10;1-11(8-12)6-2-4-9-5-3-7-13-10(9)11;1-10(6-2-4-8-12)11-7-3-5-9-13-11;1-11(8-13)6-2-4-9-5-3-7-12-10(9)11;1-8(2)11-7-10(5-6-12-11)9-3-4-9;1-8(2)11-6-5-10(7-12-11)9-3-4-9;1-8(2)11-10(9-5-6-9)4-3-7-12-11;1-7-4-5-10(11,12)8-3-2-6-13-9(7)8;1-7-3-2-4-8-5-9(11)6-12-10(7)8;1-9(5-4-7-11)10-6-2-3-8-12-10;1-4-9-6-5-7-11-10(9)8(2)3;1-7(2)9-5-4-8(11-3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8/h8-9,11,13-14H,5-7,10,12H2,1-4H3;4,6,8H,3,5,7,9H2,1-2H3;2*2-3,8-9H,4-7H2,1H3;2-3,6,9H,4-5,7-8H2,1H3;3,5,7H,2,4,6H2,1H3;3,5,7,9-10H,2,4,6,8,12H2,1H3;3,5,7,13H,2,4,6,8H2,1H3;2*5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;2-3,6-7H,4-5H2,1H3;5-7H,2-4H2,1H3;2-3,6,8-9H,4-5,7,11H2,1H3;4-8H,1H2,2-3H3;4-7H,1-3H3;2*3-6H,1-2H3/t14-;12-;3*9-;11-;10-;11-;;;;2*7-;9-;;;;/m00100000...000..../s1
InChIKeyAUAMHMFQSMMGFW-GCNMQJAXSA-N
MW3105.85 g/mol
LogP48.98
Rot. Bonds31

About tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine

tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine (PubChem CID 157230385) has the molecular formula C196H264ClF4N21O5 and a molecular weight of 3105.85 g/mol. Its IUPAC name is tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine.

Molecular Properties

Compound Nametert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine
PubChem CID157230385
Molecular FormulaC196H264ClF4N21O5
Molecular Weight3105.85 g/mol
Exact Mass3103.07
IUPAC Nametert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine
SMILESC=Cc1cccnc1C(C)C.CC(C)c1cc(C2CC2)ccn1.CC(C)c1ccc(C2CC2)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ncccc1C1CC1.COC[C@]1(C)CCCc2cccnc21.COc1ccc(C(C)C)nc1.C[C@@H](CCCCCC(=O)OC(C)(C)C)c1ccccn1.C[C@@H](CCCCN)c1ccccn1.C[C@@H](CCCN)c1ccccn1.C[C@@H]1c2ncccc2CCC12CC2.C[C@@]1(C#N)CCCc2cccnc21.C[C@@]1(CO)CCCc2cccnc21.C[C@H]1CC2(CC2)Cc2cccnc21.C[C@H]1CCC(F)(F)c2cccnc21.C[C@H]1CCC2(CC2)c2cccnc21.C[C@H]1CCCc2cc(F)cnc21
InChIInChI=1S/C17H27NO2.C12H17NO.3C12H15N.C11H12N2.C11H18N2.C11H15NO.3C11H15N.C10H11F2N.C10H12FN.C10H16N2.C10H13N.C9H13NO.C8H10ClN.C8H10FN/c1-14(15-11-8-9-13-18-15)10-6-5-7-12-16(19)20-17(2,3)4;1-12(9-14-2)7-3-5-10-6-4-8-13-11(10)12;1-9-11-10(3-2-8-13-11)4-5-12(9)6-7-12;1-9-4-5-12(6-7-12)10-3-2-8-13-11(9)10;1-9-7-12(4-5-12)8-10-3-2-6-13-11(9)10;1-11(8-12)6-2-4-9-5-3-7-13-10(9)11;1-10(6-2-4-8-12)11-7-3-5-9-13-11;1-11(8-13)6-2-4-9-5-3-7-12-10(9)11;1-8(2)11-7-10(5-6-12-11)9-3-4-9;1-8(2)11-6-5-10(7-12-11)9-3-4-9;1-8(2)11-10(9-5-6-9)4-3-7-12-11;1-7-4-5-10(11,12)8-3-2-6-13-9(7)8;1-7-3-2-4-8-5-9(11)6-12-10(7)8;1-9(5-4-7-11)10-6-2-3-8-12-10;1-4-9-6-5-7-11-10(9)8(2)3;1-7(2)9-5-4-8(11-3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8/h8-9,11,13-14H,5-7,10,12H2,1-4H3;4,6,8H,3,5,7,9H2,1-2H3;2*2-3,8-9H,4-7H2,1H3;2-3,6,9H,4-5,7-8H2,1H3;3,5,7H,2,4,6H2,1H3;3,5,7,9-10H,2,4,6,8,12H2,1H3;3,5,7,13H,2,4,6,8H2,1H3;2*5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;2-3,6-7H,4-5H2,1H3;5-7H,2-4H2,1H3;2-3,6,8-9H,4-5,7,11H2,1H3;4-8H,1H2,2-3H3;4-7H,1-3H3;2*3-6H,1-2H3/t14-;12-;3*9-;11-;10-;11-;;;;2*7-;9-;;;;/m00100000...000..../s1
InChIKeyAUAMHMFQSMMGFW-GCNMQJAXSA-N
XLogP48.98
TPSA372.84 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms227
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003105.85
LogP ≤ 548.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine?
The IUPAC name of tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine (CID 157230385) is tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine.
What is the SMILES notation for tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine?
The canonical SMILES for tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine is C=Cc1cccnc1C(C)C.CC(C)c1cc(C2CC2)ccn1.CC(C)c1ccc(C2CC2)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ncccc1C1CC1.COC[C@]1(C)CCCc2cccnc21.COc1ccc(C(C)C)nc1.C[C@@H](CCCCCC(=O)OC(C)(C)C)c1ccccn1.C[C@@H](CCCCN)c1ccccn1.C[C@@H](CCCN)c1ccccn1.C[C@@H]1c2ncccc2CCC12CC2.C[C@@]1(C#N)CCCc2cccnc21.C[C@@]1(CO)CCCc2cccnc21.C[C@H]1CC2(CC2)Cc2cccnc21.C[C@H]1CCC(F)(F)c2cccnc21.C[C@H]1CCC2(CC2)c2cccnc21.C[C@H]1CCCc2cc(F)cnc21.
What is the InChIKey of tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine?
The InChIKey is AUAMHMFQSMMGFW-GCNMQJAXSA-N. The full InChI is InChI=1S/C17H27NO2.C12H17NO.3C12H15N.C11H12N2.C11H18N2.C11H15NO.3C11H15N.C10H11F2N.C10H12FN.C10H16N2.C10H13N.C9H13NO.C8H10ClN.C8H10FN/c1-14(15-11-8-9-13-18-15)10-6-5-7-12-16(19)20-17(2,3)4;1-12(9-14-2)7-3-5-10-6-4-8-13-11(10)12;1-9-11-10(3-2-8-13-11)4-5-12(9)6-7-12;1-9-4-5-12(6-7-12)10-3-2-8-13-11(9)10;1-9-7-12(4-5-12)8-10-3-2-6-13-11(9)10;1-11(8-12)6-2-4-9-5-3-7-13-10(9)11;1-10(6-2-4-8-12)11-7-3-5-9-13-11;1-11(8-13)6-2-4-9-5-3-7-12-10(9)11;1-8(2)11-7-10(5-6-12-11)9-3-4-9;1-8(2)11-6-5-10(7-12-11)9-3-4-9;1-8(2)11-10(9-5-6-9)4-3-7-12-11;1-7-4-5-10(11,12)8-3-2-6-13-9(7)8;1-7-3-2-4-8-5-9(11)6-12-10(7)8;1-9(5-4-7-11)10-6-2-3-8-12-10;1-4-9-6-5-7-11-10(9)8(2)3;1-7(2)9-5-4-8(11-3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8/h8-9,11,13-14H,5-7,10,12H2,1-4H3;4,6,8H,3,5,7,9H2,1-2H3;2*2-3,8-9H,4-7H2,1H3;2-3,6,9H,4-5,7-8H2,1H3;3,5,7H,2,4,6H2,1H3;3,5,7,9-10H,2,4,6,8,12H2,1H3;3,5,7,13H,2,4,6,8H2,1H3;2*5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;2-3,6-7H,4-5H2,1H3;5-7H,2-4H2,1H3;2-3,6,8-9H,4-5,7,11H2,1H3;4-8H,1H2,2-3H3;4-7H,1-3H3;2*3-6H,1-2H3/t14-;12-;3*9-;11-;10-;11-;;;;2*7-;9-;;;;/m00100000...000..../s1.
What are the key properties of tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine?
tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine has a molecular weight of 3105.85 g/mol, XLogP of 48.98, 31 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7S)-7-pyridin-2-yloctanoate;5-chloro-2-propan-2-ylpyridine;3-cyclopropyl-2-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyridine;(8S)-5,5-difluoro-8-methyl-7,8-dihydro-6H-quinoline;3-ethenyl-2-propan-2-ylpyridine;(8S)-3-fluoro-8-methyl-5,6,7,8-tetrahydroquinoline;5-fluoro-2-propan-2-ylpyridine;(8R)-8-(methoxymethyl)-8-methyl-6,7-dihydro-5H-quinoline;5-methoxy-2-propan-2-ylpyridine;(8R)-8-methyl-6,7-dihydro-5H-quinoline-8-carbonitrile;[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol;(8S)-8-methylspiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-5H-quinoline-6,1'-cyclopropane];(8S)-8-methylspiro[7,8-dihydro-6H-quinoline-5,1'-cyclopropane];(5S)-5-pyridin-2-ylhexan-1-amine;(4S)-4-pyridin-2-ylpentan-1-amine is sourced from PubChem (CID 157230385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).