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

C16H26N2O — CID 114413319

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

2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 114413319) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
• PubChem CID: 114413319
• Molecular Formula: C16H26N2O
• Molecular Weight: 262.40 g/mol
• Exact Mass: 262.20
• IUPAC Name: 2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
• SMILES: CC1=CCN(Cc2cc(CNCC(C)C)co2)CC1
• InChI: InChI=1S/C16H26N2O/c1-13(2)9-17-10-15-8-16(19-12-15)11-18-6-4-14(3)5-7-18/h4,8,12-13,17H,5-7,9-11H2,1-3H3
• InChIKey: YMSOIIMUAOWABR-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 28.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.40
LogP ≤ 5	3.18
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 2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?

The IUPAC name of 2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (CID 114413319) is 2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.

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

The canonical SMILES for 2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is CC1=CCN(Cc2cc(CNCC(C)C)co2)CC1.

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

The InChIKey is YMSOIIMUAOWABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)9-17-10-15-8-16(19-12-15)11-18-6-4-14(3)5-7-18/h4,8,12-13,17H,5-7,9-11H2,1-3H3.

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

2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114413319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).