2-(3-aminopropoxy)-N-methylacetamide

C6H14N2O2 — CID 62344204

IUPAC2-(3-aminopropoxy)-N-methylacetamide
SMILESCNC(=O)COCCCN
InChIInChI=1S/C6H14N2O2/c1-8-6(9)5-10-4-2-3-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyGRFNHDCXPWSLEP-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.90
Rot. Bonds5

About 2-(3-aminopropoxy)-N-methylacetamide

2-(3-aminopropoxy)-N-methylacetamide (PubChem CID 62344204) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-N-methylacetamide
PubChem CID62344204
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-(3-aminopropoxy)-N-methylacetamide
SMILESCNC(=O)COCCCN
InChIInChI=1S/C6H14N2O2/c1-8-6(9)5-10-4-2-3-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyGRFNHDCXPWSLEP-UHFFFAOYSA-N
XLogP-0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-N-methylacetamide?
The IUPAC name of 2-(3-aminopropoxy)-N-methylacetamide (CID 62344204) is 2-(3-aminopropoxy)-N-methylacetamide.
What is the SMILES notation for 2-(3-aminopropoxy)-N-methylacetamide?
The canonical SMILES for 2-(3-aminopropoxy)-N-methylacetamide is CNC(=O)COCCCN.
What is the InChIKey of 2-(3-aminopropoxy)-N-methylacetamide?
The InChIKey is GRFNHDCXPWSLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-8-6(9)5-10-4-2-3-7/h2-5,7H2,1H3,(H,8,9).
What are the key properties of 2-(3-aminopropoxy)-N-methylacetamide?
2-(3-aminopropoxy)-N-methylacetamide has a molecular weight of 146.19 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-N-methylacetamide is sourced from PubChem (CID 62344204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).