1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone

C19H30F3N3O — CID 143115647

About 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone

1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone (PubChem CID 143115647) has the molecular formula C19H30F3N3O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone
• PubChem CID: 143115647
• Molecular Formula: C19H30F3N3O
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.23
• IUPAC Name: 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone
• SMILES: C=C/C(=C\C=C(/C)NCC(C)(C)NCC(=O)N1CCC[C@H]1C)C(F)(F)F
• InChI: InChI=1S/C19H30F3N3O/c1-6-16(19(20,21)22)10-9-14(2)23-13-18(4,5)24-12-17(26)25-11-7-8-15(25)3/h6,9-10,15,23-24H,1,7-8,11-13H2,2-5H3/b14-9+,16-10+/t15-/m1/s1
• InChIKey: LVKFDSXVICNTNG-WQSREMMMSA-N
• XLogP: 3.53
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone?

The IUPAC name of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone (CID 143115647) is 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone.

What is the SMILES notation for 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone?

The canonical SMILES for 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone is C=C/C(=C\C=C(/C)NCC(C)(C)NCC(=O)N1CCC[C@H]1C)C(F)(F)F.

What is the InChIKey of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone?

The InChIKey is LVKFDSXVICNTNG-WQSREMMMSA-N. The full InChI is InChI=1S/C19H30F3N3O/c1-6-16(19(20,21)22)10-9-14(2)23-13-18(4,5)24-12-17(26)25-11-7-8-15(25)3/h6,9-10,15,23-24H,1,7-8,11-13H2,2-5H3/b14-9+,16-10+/t15-/m1/s1.

What are the key properties of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone?

1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone has a molecular weight of 373.46 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[2-methyl-1-[[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]amino]propan-2-yl]amino]ethanone is sourced from PubChem (CID 143115647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).