(3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine

C193H242Br3N15O11 — CID 158520316

About (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine

(3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine (PubChem CID 158520316) has the molecular formula C193H242Br3N15O11 and a molecular weight of 3187.86 g/mol. Its IUPAC name is (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine.

Molecular Properties

• Compound Name: (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine
• PubChem CID: 158520316
• Molecular Formula: C193H242Br3N15O11
• Molecular Weight: 3187.86 g/mol
• Exact Mass: 3182.64
• IUPAC Name: (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine
• SMILES: C.C=CCCBr.C=CCCN(CCc1ccccc1)C(=O)C1CN1[C@@H](C)c1cccc2ccccc12.C=CCCNCCc1ccccc1.CC(C)(C)OC(=O)NC(C(=O)O)C1CCCCC1.COC(=O)C(Br)CBr.COC(=O)C1CN1[C@@H](C)c1cccc2ccccc12.C[C@@H](c1cccc2ccccc12)N1CC[C@@H]2CCN(CCc3ccccc3)C(=O)[C@@H]21.C[C@@H](c1cccc2ccccc12)N1CC[C@H]2CCN(CCc3ccccc3)C(=O)[C@H]21.C[C@@H](c1cccc2ccccc12)N1CC[C@H]2CCN(CCc3ccccc3)C[C@H]21.C[C@H](N)c1cccc2ccccc12.NCCc1ccccc1.c1ccc(CCN2CC[C@@H]3CCN[C@@H]3C2)cc1
• InChI: InChI=1S/3C27H30N2O.C27H32N2.C16H17NO2.C15H22N2.C13H23NO4.C12H13N.C12H17N.C8H11N.C4H6Br2O2.C4H7Br.CH4/c2*1-20(24-13-7-11-22-10-5-6-12-25(22)24)29-19-16-23-15-18-28(27(30)26(23)29)17-14-21-8-3-2-4-9-21;1-3-4-18-28(19-17-22-11-6-5-7-12-22)27(30)26-20-29(26)21(2)24-16-10-14-23-13-8-9-15-25(23)24;1-21(25-13-7-11-23-10-5-6-12-26(23)25)29-19-16-24-15-18-28(20-27(24)29)17-14-22-8-3-2-4-9-22;1-11(17-10-15(17)16(18)19-2)13-9-5-7-12-6-3-4-8-14(12)13;1-2-4-13(5-3-1)7-10-17-11-8-14-6-9-16-15(14)12-17;1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;1-2-3-10-13-11-9-12-7-5-4-6-8-12;9-7-6-8-4-2-1-3-5-8;1-8-4(7)3(6)2-5;1-2-3-4-5;/h2*2-13,20,23,26H,14-19H2,1H3;3,5-16,21,26H,1,4,17-20H2,2H3;2-13,21,24,27H,14-20H2,1H3;3-9,11,15H,10H2,1-2H3;1-5,14-16H,6-12H2;9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16);2-9H,13H2,1H3;2,4-8,13H,1,3,9-11H2;1-5H,6-7,9H2;3H,2H2,1H3;2H,1,3-4H2;1H4/t20-,23+,26-;20-,23-,26+;21-,26?,29?;21-,24+,27+;11-,15?,17?;14-,15+;;9-;;;;;/m000000.0...../s1
• InChIKey: HMDFMHJHKUCUGN-RQTGPLAQSA-N
• XLogP: 38.47
• TPSA: 287.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 46
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3187.86
LogP ≤ 5	38.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine?

The IUPAC name of (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine (CID 158520316) is (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine.

What is the SMILES notation for (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine?

The canonical SMILES for (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine is C.C=CCCBr.C=CCCN(CCc1ccccc1)C(=O)C1CN1[C@@H](C)c1cccc2ccccc12.C=CCCNCCc1ccccc1.CC(C)(C)OC(=O)NC(C(=O)O)C1CCCCC1.COC(=O)C(Br)CBr.COC(=O)C1CN1[C@@H](C)c1cccc2ccccc12.C[C@@H](c1cccc2ccccc12)N1CC[C@@H]2CCN(CCc3ccccc3)C(=O)[C@@H]21.C[C@@H](c1cccc2ccccc12)N1CC[C@H]2CCN(CCc3ccccc3)C(=O)[C@H]21.C[C@@H](c1cccc2ccccc12)N1CC[C@H]2CCN(CCc3ccccc3)C[C@H]21.C[C@H](N)c1cccc2ccccc12.NCCc1ccccc1.c1ccc(CCN2CC[C@@H]3CCN[C@@H]3C2)cc1.

What is the InChIKey of (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine?

The InChIKey is HMDFMHJHKUCUGN-RQTGPLAQSA-N. The full InChI is InChI=1S/3C27H30N2O.C27H32N2.C16H17NO2.C15H22N2.C13H23NO4.C12H13N.C12H17N.C8H11N.C4H6Br2O2.C4H7Br.CH4/c2*1-20(24-13-7-11-22-10-5-6-12-25(22)24)29-19-16-23-15-18-28(27(30)26(23)29)17-14-21-8-3-2-4-9-21;1-3-4-18-28(19-17-22-11-6-5-7-12-22)27(30)26-20-29(26)21(2)24-16-10-14-23-13-8-9-15-25(23)24;1-21(25-13-7-11-23-10-5-6-12-26(23)25)29-19-16-24-15-18-28(20-27(24)29)17-14-22-8-3-2-4-9-22;1-11(17-10-15(17)16(18)19-2)13-9-5-7-12-6-3-4-8-14(12)13;1-2-4-13(5-3-1)7-10-17-11-8-14-6-9-16-15(14)12-17;1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;1-2-3-10-13-11-9-12-7-5-4-6-8-12;9-7-6-8-4-2-1-3-5-8;1-8-4(7)3(6)2-5;1-2-3-4-5;/h2*2-13,20,23,26H,14-19H2,1H3;3,5-16,21,26H,1,4,17-20H2,2H3;2-13,21,24,27H,14-20H2,1H3;3-9,11,15H,10H2,1-2H3;1-5,14-16H,6-12H2;9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16);2-9H,13H2,1H3;2,4-8,13H,1,3,9-11H2;1-5H,6-7,9H2;3H,2H2,1H3;2H,1,3-4H2;1H4/t20-,23+,26-;20-,23-,26+;21-,26?,29?;21-,24+,27+;11-,15?,17?;14-,15+;;9-;;;;;/m000000.0...../s1.

What are the key properties of (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine?

(3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine has a molecular weight of 3187.86 g/mol, XLogP of 38.47, 46 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;(3aS,7aS)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aR,7aR)-1-[(1S)-1-naphthalen-1-ylethyl]-6-(2-phenylethyl)-2,3,3a,4,5,7a-hexahydropyrrolo[2,3-c]pyridin-7-one;(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;4-bromobut-1-ene;N-but-3-enyl-1-[(1S)-1-naphthalen-1-ylethyl]-N-(2-phenylethyl)aziridine-2-carboxamide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;methane;methyl 2,3-dibromopropanoate;methyl 1-[(1S)-1-naphthalen-1-ylethyl]aziridine-2-carboxylate;(1S)-1-naphthalen-1-ylethanamine;2-phenylethanamine;N-(2-phenylethyl)but-3-en-1-amine is sourced from PubChem (CID 158520316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).