N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

C16H26N2O — CID 114413222

About N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 114413222) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
• PubChem CID: 114413222
• Molecular Formula: C16H26N2O
• Molecular Weight: 262.40 g/mol
• Exact Mass: 262.20
• IUPAC Name: N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
• SMILES: CC1=CCN(Cc2cc(CNC(C)C)oc2C)CC1
• InChI: InChI=1S/C16H26N2O/c1-12(2)17-10-16-9-15(14(4)19-16)11-18-7-5-13(3)6-8-18/h5,9,12,17H,6-8,10-11H2,1-4H3
• InChIKey: SHLKRCAKERGCMP-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 28.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.40
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?

The IUPAC name of N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (CID 114413222) is N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

What is the SMILES notation for N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?

The canonical SMILES for N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is CC1=CCN(Cc2cc(CNC(C)C)oc2C)CC1.

What is the InChIKey of N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?

The InChIKey is SHLKRCAKERGCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)17-10-16-9-15(14(4)19-16)11-18-7-5-13(3)6-8-18/h5,9,12,17H,6-8,10-11H2,1-4H3.

What are the key properties of N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?

N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114413222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).