N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine

C₁₂H₂₇N₃O — CID 174317493

About N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine

N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine (PubChem CID 174317493) has the molecular formula C₁₂H₂₇N₃O and a molecular weight of 229.37 g/mol. Its IUPAC name is N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine
• PubChem CID: 174317493
• Molecular Formula: C₁₂H₂₇N₃O
• Molecular Weight: 229.37 g/mol
• Exact Mass: 229.22
• IUPAC Name: N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine
• SMILES: C=C(COCCNCCN(C)CCC)NC
• InChI: InChI=1S/C12H27N3O/c1-5-8-15(4)9-6-14-7-10-16-11-12(2)13-3/h13-14H,2,5-11H2,1,3-4H3
• InChIKey: LHPZPHIFRUGEMG-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 36.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	229.37
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine?

The IUPAC name of N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine (CID 174317493) is N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine.

What is the SMILES notation for N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine?

The canonical SMILES for N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine is C=C(COCCNCCN(C)CCC)NC.

What is the InChIKey of N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine?

The InChIKey is LHPZPHIFRUGEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-8-15(4)9-6-14-7-10-16-11-12(2)13-3/h13-14H,2,5-11H2,1,3-4H3.

What are the key properties of N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine?

N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine has a molecular weight of 229.37 g/mol, XLogP of 0.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-[2-[2-(methylamino)prop-2-enoxy]ethyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 174317493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174317493 — identifiers, structure, computed properties (public domain)

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