N'-methoxybutanimidamide

C5H12N2O — CID 20872276

IUPACN'-methoxybutanimidamide
SMILESCCC/C(N)=N/OC
InChIInChI=1S/C5H12N2O/c1-3-4-5(6)7-8-2/h3-4H2,1-2H3,(H2,6,7)
InChIKeyOSLPERSPPKAQKO-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.71
Rot. Bonds3

About N'-methoxybutanimidamide

N'-methoxybutanimidamide (PubChem CID 20872276) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N'-methoxybutanimidamide.

Molecular Properties

Compound NameN'-methoxybutanimidamide
PubChem CID20872276
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN'-methoxybutanimidamide
SMILESCCC/C(N)=N/OC
InChIInChI=1S/C5H12N2O/c1-3-4-5(6)7-8-2/h3-4H2,1-2H3,(H2,6,7)
InChIKeyOSLPERSPPKAQKO-UHFFFAOYSA-N
XLogP0.71
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-methoxybutanimidamide?
The IUPAC name of N'-methoxybutanimidamide (CID 20872276) is N'-methoxybutanimidamide.
What is the SMILES notation for N'-methoxybutanimidamide?
The canonical SMILES for N'-methoxybutanimidamide is CCC/C(N)=N/OC.
What is the InChIKey of N'-methoxybutanimidamide?
The InChIKey is OSLPERSPPKAQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-4-5(6)7-8-2/h3-4H2,1-2H3,(H2,6,7).
What are the key properties of N'-methoxybutanimidamide?
N'-methoxybutanimidamide has a molecular weight of 116.16 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxybutanimidamide is sourced from PubChem (CID 20872276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).