methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide

C13H29N3O4 — CID 159160383

About methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide

methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide (PubChem CID 159160383) has the molecular formula C13H29N3O4 and a molecular weight of 291.39 g/mol. Its IUPAC name is methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide.

Molecular Properties

• Compound Name: methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
• PubChem CID: 159160383
• Molecular Formula: C13H29N3O4
• Molecular Weight: 291.39 g/mol
• Exact Mass: 291.22
• IUPAC Name: methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
• SMILES: C#CCOCCOCCOCCC(=O)NC.CN.CN
• InChI: InChI=1S/C11H19NO4.2CH5N/c1-3-5-14-7-9-16-10-8-15-6-4-11(13)12-2;2*1-2/h1H,4-10H2,2H3,(H,12,13);2*2H2,1H3
• InChIKey: KKKJVULOIKAYFY-UHFFFAOYSA-N
• XLogP: -1.04
• TPSA: 108.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.39
LogP ≤ 5	-1.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide?

The IUPAC name of methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide (CID 159160383) is methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide.

What is the SMILES notation for methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide?

The canonical SMILES for methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide is C#CCOCCOCCOCCC(=O)NC.CN.CN.

What is the InChIKey of methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide?

The InChIKey is KKKJVULOIKAYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4.2CH5N/c1-3-5-14-7-9-16-10-8-15-6-4-11(13)12-2;2*1-2/h1H,4-10H2,2H3,(H,12,13);2*2H2,1H3.

What are the key properties of methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide?

methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide has a molecular weight of 291.39 g/mol, XLogP of -1.04, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide is sourced from PubChem (CID 159160383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).