2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide

C6H13N3O2 — CID 12015223

IUPAC2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide
SMILESCNC(=O)/C(=N\C(C)C)NO
InChIInChI=1S/C6H13N3O2/c1-4(2)8-5(9-11)6(10)7-3/h4,11H,1-3H3,(H,7,10)(H,8,9)
InChIKeyRPCYBESOKPMNQQ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.48
Rot. Bonds1

About 2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide

2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide (PubChem CID 12015223) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide.

Molecular Properties

Compound Name2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide
PubChem CID12015223
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide
SMILESCNC(=O)/C(=N\C(C)C)NO
InChIInChI=1S/C6H13N3O2/c1-4(2)8-5(9-11)6(10)7-3/h4,11H,1-3H3,(H,7,10)(H,8,9)
InChIKeyRPCYBESOKPMNQQ-UHFFFAOYSA-N
XLogP-0.48
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
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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Related Compounds

2-tert-butylimino-2-(hydroxyamino)-N-methylacetamide
CID 11446609
2-(hydroxyamino)-N-methyl-2-propyliminoacetamide
CID 12015222
(Z)-2-Amino-2-(hydroxyimino)-N-isopropylacetamide
CID 50906522
2-amino-2-butan-2-ylimino-N-methylacetamide
CID 143934533

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide?
The IUPAC name of 2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide (CID 12015223) is 2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide.
What is the SMILES notation for 2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide?
The canonical SMILES for 2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide is CNC(=O)/C(=N\C(C)C)NO.
What is the InChIKey of 2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide?
The InChIKey is RPCYBESOKPMNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-4(2)8-5(9-11)6(10)7-3/h4,11H,1-3H3,(H,7,10)(H,8,9).
What are the key properties of 2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide?
2-(hydroxyamino)-N-methyl-2-propan-2-yliminoacetamide has a molecular weight of 159.19 g/mol, XLogP of -0.48, 1 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-propan-2-yliminoacetamide is sourced from PubChem (CID 12015223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).