3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine

C15H24N2O — CID 66361714

About 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine

3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine (PubChem CID 66361714) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine
• PubChem CID: 66361714
• Molecular Formula: C15H24N2O
• Molecular Weight: 248.37 g/mol
• Exact Mass: 248.19
• IUPAC Name: 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine
• SMILES: Cc1ccc2c(c1)CC(CN(C)C(C)CCN)O2
• InChI: InChI=1S/C15H24N2O/c1-11-4-5-15-13(8-11)9-14(18-15)10-17(3)12(2)6-7-16/h4-5,8,12,14H,6-7,9-10,16H2,1-3H3
• InChIKey: KNBNMJCGGGUUHK-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 38.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.37
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine?

The IUPAC name of 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine (CID 66361714) is 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine.

What is the SMILES notation for 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine?

The canonical SMILES for 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine is Cc1ccc2c(c1)CC(CN(C)C(C)CCN)O2.

What is the InChIKey of 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine?

The InChIKey is KNBNMJCGGGUUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-4-5-15-13(8-11)9-14(18-15)10-17(3)12(2)6-7-16/h4-5,8,12,14H,6-7,9-10,16H2,1-3H3.

What are the key properties of 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine?

3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 66361714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).