1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate

C112H128N10O14S2 — CID 157222712

About 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate

1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate (PubChem CID 157222712) has the molecular formula C112H128N10O14S2 and a molecular weight of 1902.45 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate.

Molecular Properties

• Compound Name: 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate
• PubChem CID: 157222712
• Molecular Formula: C112H128N10O14S2
• Molecular Weight: 1902.45 g/mol
• Exact Mass: 1900.91
• IUPAC Name: 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate
• SMILES: CC(C)(C)OC(=O)CCCCN(Cc1ccc2occc2c1)Cc1ccc2occc2c1.CC(C)CNCC(C)(C)CCS(=O)(=O)c1ccc2occc2c1.CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)CS(=O)(=O)c1ccc2occc2c1.Cc1cnc(CNCc2ccc3occc3c2)cn1.c1cc(CNCc2ccc3occc3c2)ccn1.c1cc(NCc2ccc3occc3c2)ccn1
• InChI: InChI=1S/C27H31NO4.C23H29NO4S.C18H27NO3S.C15H15N3O.C15H14N2O.C14H12N2O/c1-27(2,3)32-26(29)6-4-5-13-28(18-20-7-9-24-22(16-20)11-14-30-24)19-21-8-10-25-23(17-21)12-15-31-25;1-17(2)14-24-15-22(25)20(12-18-6-4-3-5-7-18)16-29(26,27)21-8-9-23-19(13-21)10-11-28-23;1-14(2)12-19-13-18(3,4)8-10-23(20,21)16-5-6-17-15(11-16)7-9-22-17;1-11-7-18-14(10-17-11)9-16-8-12-2-3-15-13(6-12)4-5-19-15;1-2-15-14(5-8-18-15)9-13(1)11-17-10-12-3-6-16-7-4-12;1-2-14-12(5-8-17-14)9-11(1)10-16-13-3-6-15-7-4-13/h7-12,14-17H,4-6,13,18-19H2,1-3H3;3-11,13,17,20,22,24-25H,12,14-16H2,1-2H3;5-7,9,11,14,19H,8,10,12-13H2,1-4H3;2-7,10,16H,8-9H2,1H3;1-9,17H,10-11H2;1-9H,10H2,(H,15,16)/t;20-,22-;;;;/m.1..../s1
• InChIKey: ATEIZKWNJWKHIG-NNWJNHBWSA-N
• XLogP: 23.61
• TPSA: 321.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1902.45
LogP ≤ 5	23.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate?

The IUPAC name of 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate (CID 157222712) is 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate.

What is the SMILES notation for 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate?

The canonical SMILES for 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate is CC(C)(C)OC(=O)CCCCN(Cc1ccc2occc2c1)Cc1ccc2occc2c1.CC(C)CNCC(C)(C)CCS(=O)(=O)c1ccc2occc2c1.CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)CS(=O)(=O)c1ccc2occc2c1.Cc1cnc(CNCc2ccc3occc3c2)cn1.c1cc(CNCc2ccc3occc3c2)ccn1.c1cc(NCc2ccc3occc3c2)ccn1.

What is the InChIKey of 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate?

The InChIKey is ATEIZKWNJWKHIG-NNWJNHBWSA-N. The full InChI is InChI=1S/C27H31NO4.C23H29NO4S.C18H27NO3S.C15H15N3O.C15H14N2O.C14H12N2O/c1-27(2,3)32-26(29)6-4-5-13-28(18-20-7-9-24-22(16-20)11-14-30-24)19-21-8-10-25-23(17-21)12-15-31-25;1-17(2)14-24-15-22(25)20(12-18-6-4-3-5-7-18)16-29(26,27)21-8-9-23-19(13-21)10-11-28-23;1-14(2)12-19-13-18(3,4)8-10-23(20,21)16-5-6-17-15(11-16)7-9-22-17;1-11-7-18-14(10-17-11)9-16-8-12-2-3-15-13(6-12)4-5-19-15;1-2-15-14(5-8-18-15)9-13(1)11-17-10-12-3-6-16-7-4-12;1-2-14-12(5-8-17-14)9-11(1)10-16-13-3-6-15-7-4-13/h7-12,14-17H,4-6,13,18-19H2,1-3H3;3-11,13,17,20,22,24-25H,12,14-16H2,1-2H3;5-7,9,11,14,19H,8,10,12-13H2,1-4H3;2-7,10,16H,8-9H2,1H3;1-9,17H,10-11H2;1-9H,10H2,(H,15,16)/t;20-,22-;;;;/m.1..../s1.

What are the key properties of 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate?

1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate has a molecular weight of 1902.45 g/mol, XLogP of 23.61, 38 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate is sourced from PubChem (CID 157222712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).