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

C16H24N2O — CID 106316701

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

N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 106316701) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

• Compound Name: N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
• PubChem CID: 106316701
• Molecular Formula: C16H24N2O
• Molecular Weight: 260.38 g/mol
• Exact Mass: 260.19
• IUPAC Name: N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
• SMILES: CC1=CCCN(Cc2cc(C)c(CNC3CC3)o2)C1
• InChI: InChI=1S/C16H24N2O/c1-12-4-3-7-18(10-12)11-15-8-13(2)16(19-15)9-17-14-5-6-14/h4,8,14,17H,3,5-7,9-11H2,1-2H3
• InChIKey: CTIXPUVZUUNBKW-UHFFFAOYSA-N
• XLogP: 2.99
• 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	260.38
LogP ≤ 5	2.99
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-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?

The IUPAC name of N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 106316701) is N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

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

The canonical SMILES for N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is CC1=CCCN(Cc2cc(C)c(CNC3CC3)o2)C1.

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

The InChIKey is CTIXPUVZUUNBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-4-3-7-18(10-12)11-15-8-13(2)16(19-15)9-17-14-5-6-14/h4,8,14,17H,3,5-7,9-11H2,1-2H3.

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

N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 260.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106316701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).