N,N'-dihydroxy-N-methylethanimidamide

C3H8N2O2 — CID 123550075

IUPACN,N'-dihydroxy-N-methylethanimidamide
SMILESCC(=NO)N(C)O
InChIInChI=1S/C3H8N2O2/c1-3(4-6)5(2)7/h6-7H,1-2H3
InChIKeyJOCZJZIMEISARE-UHFFFAOYSA-N
MW104.11 g/mol
LogP0.12
Rot. Bonds

About N,N'-dihydroxy-N-methylethanimidamide

N,N'-dihydroxy-N-methylethanimidamide (PubChem CID 123550075) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is N,N'-dihydroxy-N-methylethanimidamide.

Molecular Properties

Compound NameN,N'-dihydroxy-N-methylethanimidamide
PubChem CID123550075
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC NameN,N'-dihydroxy-N-methylethanimidamide
SMILESCC(=NO)N(C)O
InChIInChI=1S/C3H8N2O2/c1-3(4-6)5(2)7/h6-7H,1-2H3
InChIKeyJOCZJZIMEISARE-UHFFFAOYSA-N
XLogP0.12
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 50.12
H-Bond Donors ≤ 52
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': 'oxime_1', '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 N,N'-dihydroxy-N-methylethanimidamide?
The IUPAC name of N,N'-dihydroxy-N-methylethanimidamide (CID 123550075) is N,N'-dihydroxy-N-methylethanimidamide.
What is the SMILES notation for N,N'-dihydroxy-N-methylethanimidamide?
The canonical SMILES for N,N'-dihydroxy-N-methylethanimidamide is CC(=NO)N(C)O.
What is the InChIKey of N,N'-dihydroxy-N-methylethanimidamide?
The InChIKey is JOCZJZIMEISARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-3(4-6)5(2)7/h6-7H,1-2H3.
What are the key properties of N,N'-dihydroxy-N-methylethanimidamide?
N,N'-dihydroxy-N-methylethanimidamide has a molecular weight of 104.11 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihydroxy-N-methylethanimidamide is sourced from PubChem (CID 123550075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).