3-methoxypropanimidamide

C4H10N2O — CID 4140000

IUPAC3-methoxypropanimidamide
SMILES[H]/N=C(/N)CCOC
InChIInChI=1S/C4H10N2O/c1-7-3-2-4(5)6/h2-3H2,1H3,(H3,5,6)
InChIKeyGOLODWMXGLKPFT-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.04
Rot. Bonds3

About 3-methoxypropanimidamide

3-methoxypropanimidamide (PubChem CID 4140000) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 3-methoxypropanimidamide.

Molecular Properties

Compound Name3-methoxypropanimidamide
PubChem CID4140000
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name3-methoxypropanimidamide
SMILES[H]/N=C(/N)CCOC
InChIInChI=1S/C4H10N2O/c1-7-3-2-4(5)6/h2-3H2,1H3,(H3,5,6)
InChIKeyGOLODWMXGLKPFT-UHFFFAOYSA-N
XLogP-0.04
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-methoxypropanimidamide?
The IUPAC name of 3-methoxypropanimidamide (CID 4140000) is 3-methoxypropanimidamide.
What is the SMILES notation for 3-methoxypropanimidamide?
The canonical SMILES for 3-methoxypropanimidamide is [H]/N=C(/N)CCOC.
What is the InChIKey of 3-methoxypropanimidamide?
The InChIKey is GOLODWMXGLKPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-7-3-2-4(5)6/h2-3H2,1H3,(H3,5,6).
What are the key properties of 3-methoxypropanimidamide?
3-methoxypropanimidamide has a molecular weight of 102.14 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropanimidamide is sourced from PubChem (CID 4140000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).