4-methoxybutanimidamide

C5H12N2O — CID 24698705

IUPAC4-methoxybutanimidamide
SMILES[H]/N=C(/N)CCCOC
InChIInChI=1S/C5H12N2O/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H3,6,7)
InChIKeyPORUULVZUHMYKC-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.35
Rot. Bonds4

About 4-methoxybutanimidamide

4-methoxybutanimidamide (PubChem CID 24698705) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 4-methoxybutanimidamide.

Molecular Properties

Compound Name4-methoxybutanimidamide
PubChem CID24698705
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name4-methoxybutanimidamide
SMILES[H]/N=C(/N)CCCOC
InChIInChI=1S/C5H12N2O/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H3,6,7)
InChIKeyPORUULVZUHMYKC-UHFFFAOYSA-N
XLogP0.35
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybutanimidamide?
The IUPAC name of 4-methoxybutanimidamide (CID 24698705) is 4-methoxybutanimidamide.
What is the SMILES notation for 4-methoxybutanimidamide?
The canonical SMILES for 4-methoxybutanimidamide is [H]/N=C(/N)CCCOC.
What is the InChIKey of 4-methoxybutanimidamide?
The InChIKey is PORUULVZUHMYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H3,6,7).
What are the key properties of 4-methoxybutanimidamide?
4-methoxybutanimidamide has a molecular weight of 116.16 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutanimidamide is sourced from PubChem (CID 24698705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).