N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

C19H25N3O — CID 56705149

About N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 56705149) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

• Compound Name: N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
• PubChem CID: 56705149
• Molecular Formula: C19H25N3O
• Molecular Weight: 311.43 g/mol
• Exact Mass: 311.20
• IUPAC Name: N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
• SMILES: COc1cc2c(cc1CN(Cc1nccn1C)C1CC1)CCC2
• InChI: InChI=1S/C19H25N3O/c1-21-9-8-20-19(21)13-22(17-6-7-17)12-16-10-14-4-3-5-15(14)11-18(16)23-2/h8-11,17H,3-7,12-13H2,1-2H3
• InChIKey: KXSXPOSJURVLOI-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 30.29 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.43
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine?

The IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine (CID 56705149) is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine.

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

The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is COc1cc2c(cc1CN(Cc1nccn1C)C1CC1)CCC2.

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

The InChIKey is KXSXPOSJURVLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-21-9-8-20-19(21)13-22(17-6-7-17)12-16-10-14-4-3-5-15(14)11-18(16)23-2/h8-11,17H,3-7,12-13H2,1-2H3.

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

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 311.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 56705149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).