(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione

C87H93F4N11O17 — CID 159892855

About (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione

(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione (PubChem CID 159892855) has the molecular formula C87H93F4N11O17 and a molecular weight of 1640.75 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione.

Molecular Properties

• Compound Name: (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione
• PubChem CID: 159892855
• Molecular Formula: C87H93F4N11O17
• Molecular Weight: 1640.75 g/mol
• Exact Mass: 1639.67
• IUPAC Name: (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione
• SMILES: CCC(C)(C)[C@@H](N)c1ccc(C)o1.CCC(C)(C)[C@@H](Nc1c(Nc2c(F)ccc3c2C(=O)N[C@@H]3C)c(=O)c1=O)c1ccc(C)o1.CCC(C)(C)[C@@H](Nc1c(Nc2c(F)ccc3c2C(=O)N[C@H]3C)c(=O)c1=O)c1ccc(C)o1.COc1c(Nc2c(F)ccc3c2C(=O)N[C@@H]3C)c(=O)c1=O.COc1c(Nc2c(F)ccc3c2C(=O)N[C@H]3C)c(=O)c1=O
• InChI: InChI=1S/2C24H26FN3O4.2C14H11FN2O4.C11H19NO/c2*1-6-24(4,5)22(15-10-7-11(2)32-15)28-19-18(20(29)21(19)30)27-17-14(25)9-8-13-12(3)26-23(31)16(13)17;2*1-5-6-3-4-7(15)9(8(6)14(20)16-5)17-10-11(18)12(19)13(10)21-2;1-5-11(3,4)10(12)9-7-6-8(2)13-9/h2*7-10,12,22,27-28H,6H2,1-5H3,(H,26,31);2*3-5,17H,1-2H3,(H,16,20);6-7,10H,5,12H2,1-4H3/t12-,22+;12-,22-;2*5-;10-/m10100/s1
• InChIKey: NUZAPZCKHDAPGK-BOXRLSLGSA-N
• XLogP: 13.90
• TPSA: 409.04 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1640.75
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione?

The IUPAC name of (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione (CID 159892855) is (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione.

What is the SMILES notation for (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione?

The canonical SMILES for (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione is CCC(C)(C)[C@@H](N)c1ccc(C)o1.CCC(C)(C)[C@@H](Nc1c(Nc2c(F)ccc3c2C(=O)N[C@@H]3C)c(=O)c1=O)c1ccc(C)o1.CCC(C)(C)[C@@H](Nc1c(Nc2c(F)ccc3c2C(=O)N[C@H]3C)c(=O)c1=O)c1ccc(C)o1.COc1c(Nc2c(F)ccc3c2C(=O)N[C@@H]3C)c(=O)c1=O.COc1c(Nc2c(F)ccc3c2C(=O)N[C@H]3C)c(=O)c1=O.

What is the InChIKey of (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione?

The InChIKey is NUZAPZCKHDAPGK-BOXRLSLGSA-N. The full InChI is InChI=1S/2C24H26FN3O4.2C14H11FN2O4.C11H19NO/c2*1-6-24(4,5)22(15-10-7-11(2)32-15)28-19-18(20(29)21(19)30)27-17-14(25)9-8-13-12(3)26-23(31)16(13)17;2*1-5-6-3-4-7(15)9(8(6)14(20)16-5)17-10-11(18)12(19)13(10)21-2;1-5-11(3,4)10(12)9-7-6-8(2)13-9/h2*7-10,12,22,27-28H,6H2,1-5H3,(H,26,31);2*3-5,17H,1-2H3,(H,16,20);6-7,10H,5,12H2,1-4H3/t12-,22+;12-,22-;2*5-;10-/m10100/s1.

What are the key properties of (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione?

(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione has a molecular weight of 1640.75 g/mol, XLogP of 13.90, 23 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)butyl]amino]-4-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]cyclobut-3-ene-1,2-dione;3-[[(1S)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione;3-[[(1R)-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-methoxycyclobut-3-ene-1,2-dione is sourced from PubChem (CID 159892855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).