2-(hydroxyamino)-N-methyl-2-propyliminoacetamide

C6H13N3O2 — CID 12015222

IUPAC2-(hydroxyamino)-N-methyl-2-propyliminoacetamide
SMILESCCC/N=C(\NO)C(=O)NC
InChIInChI=1S/C6H13N3O2/c1-3-4-8-5(9-11)6(10)7-2/h11H,3-4H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyIAQYLLRNXOWHCY-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.48
Rot. Bonds2

About 2-(hydroxyamino)-N-methyl-2-propyliminoacetamide

2-(hydroxyamino)-N-methyl-2-propyliminoacetamide (PubChem CID 12015222) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(hydroxyamino)-N-methyl-2-propyliminoacetamide.

Molecular Properties

Compound Name2-(hydroxyamino)-N-methyl-2-propyliminoacetamide
PubChem CID12015222
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-(hydroxyamino)-N-methyl-2-propyliminoacetamide
SMILESCCC/N=C(\NO)C(=O)NC
InChIInChI=1S/C6H13N3O2/c1-3-4-8-5(9-11)6(10)7-2/h11H,3-4H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyIAQYLLRNXOWHCY-UHFFFAOYSA-N
XLogP-0.48
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-N-methyl-2-propyliminoacetamide?
The IUPAC name of 2-(hydroxyamino)-N-methyl-2-propyliminoacetamide (CID 12015222) is 2-(hydroxyamino)-N-methyl-2-propyliminoacetamide.
What is the SMILES notation for 2-(hydroxyamino)-N-methyl-2-propyliminoacetamide?
The canonical SMILES for 2-(hydroxyamino)-N-methyl-2-propyliminoacetamide is CCC/N=C(\NO)C(=O)NC.
What is the InChIKey of 2-(hydroxyamino)-N-methyl-2-propyliminoacetamide?
The InChIKey is IAQYLLRNXOWHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-3-4-8-5(9-11)6(10)7-2/h11H,3-4H2,1-2H3,(H,7,10)(H,8,9).
What are the key properties of 2-(hydroxyamino)-N-methyl-2-propyliminoacetamide?
2-(hydroxyamino)-N-methyl-2-propyliminoacetamide has a molecular weight of 159.19 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-N-methyl-2-propyliminoacetamide is sourced from PubChem (CID 12015222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).