(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one

C134H285N27O9 — CID 158541431

About (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one

(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one (PubChem CID 158541431) has the molecular formula C134H285N27O9 and a molecular weight of 2418.93 g/mol. Its IUPAC name is (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

• Compound Name: (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
• PubChem CID: 158541431
• Molecular Formula: C134H285N27O9
• Molecular Weight: 2418.93 g/mol
• Exact Mass: 2417.27
• IUPAC Name: (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
• SMILES: CC(C)N[C@@H](C(=O)N1CCN(C)CC1)C(C)C.CC(C)N[C@@H](C(=O)NCCCN(C)C)C(C)C.CC(C)[C@H](C(=O)N(C)C1CCN(C)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)N(C)CCCN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)N(C)CCN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)N1CCC(N2CCCC2)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)NCC(C)(C)CN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)NCCC1CCCN1C)N(C)C(C)C.CC(C)[C@H](C(=O)NCCN(C)C)N(C)C(C)C
• InChI: InChI=1S/C18H35N3O.2C16H33N3O.C16H35N3O.C15H33N3O.C14H31N3O.C13H27N3O.2C13H29N3O/c1-14(2)17(19(5)15(3)4)18(22)21-12-8-16(9-13-21)20-10-6-7-11-20;1-12(2)15(18(6)13(3)4)16(20)19(7)14-8-10-17(5)11-9-14;1-12(2)15(19(6)13(3)4)16(20)17-10-9-14-8-7-11-18(14)5;1-12(2)14(19(9)13(3)4)15(20)17-10-16(5,6)11-18(7)8;1-12(2)14(18(8)13(3)4)15(19)17(7)11-9-10-16(5)6;1-11(2)13(17(8)12(3)4)14(18)16(7)10-9-15(5)6;1-10(2)12(14-11(3)4)13(17)16-8-6-15(5)7-9-16;1-10(2)12(16(7)11(3)4)13(17)14-8-9-15(5)6;1-10(2)12(15-11(3)4)13(17)14-8-7-9-16(5)6/h14-17H,6-13H2,1-5H3;12-15H,8-11H2,1-7H3;12-15H,7-11H2,1-6H3,(H,17,20);12-14H,10-11H2,1-9H3,(H,17,20);12-14H,9-11H2,1-8H3;11-13H,9-10H2,1-8H3;10-12,14H,6-9H2,1-5H3;10-12H,8-9H2,1-7H3,(H,14,17);10-12,15H,7-9H2,1-6H3,(H,14,17)/t17-;15-;14?,15-;2*14-;13-;3*12-/m111111111/s1
• InChIKey: HOOJMFALEDPLKK-NVHQSBHNSA-N
• XLogP: 14.37
• TPSA: 293.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 59
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2418.93
LogP ≤ 5	14.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?

The IUPAC name of (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one (CID 158541431) is (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one.

What is the SMILES notation for (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?

The canonical SMILES for (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one is CC(C)N[C@@H](C(=O)N1CCN(C)CC1)C(C)C.CC(C)N[C@@H](C(=O)NCCCN(C)C)C(C)C.CC(C)[C@H](C(=O)N(C)C1CCN(C)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)N(C)CCCN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)N(C)CCN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)N1CCC(N2CCCC2)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)NCC(C)(C)CN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)NCCC1CCCN1C)N(C)C(C)C.CC(C)[C@H](C(=O)NCCN(C)C)N(C)C(C)C.

What is the InChIKey of (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?

The InChIKey is HOOJMFALEDPLKK-NVHQSBHNSA-N. The full InChI is InChI=1S/C18H35N3O.2C16H33N3O.C16H35N3O.C15H33N3O.C14H31N3O.C13H27N3O.2C13H29N3O/c1-14(2)17(19(5)15(3)4)18(22)21-12-8-16(9-13-21)20-10-6-7-11-20;1-12(2)15(18(6)13(3)4)16(20)19(7)14-8-10-17(5)11-9-14;1-12(2)15(19(6)13(3)4)16(20)17-10-9-14-8-7-11-18(14)5;1-12(2)14(19(9)13(3)4)15(20)17-10-16(5,6)11-18(7)8;1-12(2)14(18(8)13(3)4)15(19)17(7)11-9-10-16(5)6;1-11(2)13(17(8)12(3)4)14(18)16(7)10-9-15(5)6;1-10(2)12(14-11(3)4)13(17)16-8-6-15(5)7-9-16;1-10(2)12(16(7)11(3)4)13(17)14-8-9-15(5)6;1-10(2)12(15-11(3)4)13(17)14-8-7-9-16(5)6/h14-17H,6-13H2,1-5H3;12-15H,8-11H2,1-7H3;12-15H,7-11H2,1-6H3,(H,17,20);12-14H,10-11H2,1-9H3,(H,17,20);12-14H,9-11H2,1-8H3;11-13H,9-10H2,1-8H3;10-12,14H,6-9H2,1-5H3;10-12H,8-9H2,1-7H3,(H,14,17);10-12,15H,7-9H2,1-6H3,(H,14,17)/t17-;15-;14?,15-;2*14-;13-;3*12-/m111111111/s1.

What are the key properties of (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?

(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one has a molecular weight of 2418.93 g/mol, XLogP of 14.37, 59 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 158541431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).