N-(3-aminopropyl)-2-methoxyacetamide

C6H14N2O2 — CID 24692091

IUPACN-(3-aminopropyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCCN
InChIInChI=1S/C6H14N2O2/c1-10-5-6(9)8-4-2-3-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyLTLRMBVNGLKULG-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.90
Rot. Bonds5

About N-(3-aminopropyl)-2-methoxyacetamide

N-(3-aminopropyl)-2-methoxyacetamide (PubChem CID 24692091) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methoxyacetamide
PubChem CID24692091
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC NameN-(3-aminopropyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCCN
InChIInChI=1S/C6H14N2O2/c1-10-5-6(9)8-4-2-3-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyLTLRMBVNGLKULG-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 N-(3-aminopropyl)-2-methoxyacetamide?
The IUPAC name of N-(3-aminopropyl)-2-methoxyacetamide (CID 24692091) is N-(3-aminopropyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-methoxyacetamide is COCC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-methoxyacetamide?
The InChIKey is LTLRMBVNGLKULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-10-5-6(9)8-4-2-3-7/h2-5,7H2,1H3,(H,8,9).
What are the key properties of N-(3-aminopropyl)-2-methoxyacetamide?
N-(3-aminopropyl)-2-methoxyacetamide 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 N-(3-aminopropyl)-2-methoxyacetamide is sourced from PubChem (CID 24692091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).