N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C15H23F3N2O — CID 119126789

About N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 119126789) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

• Compound Name: N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
• PubChem CID: 119126789
• Molecular Formula: C15H23F3N2O
• Molecular Weight: 304.36 g/mol
• Exact Mass: 304.18
• IUPAC Name: N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
• SMILES: CC1CC1c1ccc(CNCCCN(C)CC(F)(F)F)o1
• InChI: InChI=1S/C15H23F3N2O/c1-11-8-13(11)14-5-4-12(21-14)9-19-6-3-7-20(2)10-15(16,17)18/h4-5,11,13,19H,3,6-10H2,1-2H3
• InChIKey: GLTYTFFIGZMYAO-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 28.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.36
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The IUPAC name of N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 119126789) is N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

What is the SMILES notation for N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The canonical SMILES for N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CC1CC1c1ccc(CNCCCN(C)CC(F)(F)F)o1.

What is the InChIKey of N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The InChIKey is GLTYTFFIGZMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-11-8-13(11)14-5-4-12(21-14)9-19-6-3-7-20(2)10-15(16,17)18/h4-5,11,13,19H,3,6-10H2,1-2H3.

What are the key properties of N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?

N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 119126789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).