3-imino-N'-methylpropanimidamide

C4H9N3 — CID 90734526

IUPAC3-imino-N'-methylpropanimidamide
SMILES[H]/N=C/C/C(N)=N/C
InChIInChI=1S/C4H9N3/c1-7-4(6)2-3-5/h3,5H,2H2,1H3,(H2,6,7)/b5-3+
InChIKeyYFMSNIROPZTONV-HWKANZROSA-N
MW99.14 g/mol
LogP0.01
Rot. Bonds2

About 3-imino-N'-methylpropanimidamide

3-imino-N'-methylpropanimidamide (PubChem CID 90734526) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 3-imino-N'-methylpropanimidamide.

Molecular Properties

Compound Name3-imino-N'-methylpropanimidamide
PubChem CID90734526
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name3-imino-N'-methylpropanimidamide
SMILES[H]/N=C/C/C(N)=N/C
InChIInChI=1S/C4H9N3/c1-7-4(6)2-3-5/h3,5H,2H2,1H3,(H2,6,7)/b5-3+
InChIKeyYFMSNIROPZTONV-HWKANZROSA-N
XLogP0.01
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 50.01
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-imino-N'-methylpropanimidamide?
The IUPAC name of 3-imino-N'-methylpropanimidamide (CID 90734526) is 3-imino-N'-methylpropanimidamide.
What is the SMILES notation for 3-imino-N'-methylpropanimidamide?
The canonical SMILES for 3-imino-N'-methylpropanimidamide is [H]/N=C/C/C(N)=N/C.
What is the InChIKey of 3-imino-N'-methylpropanimidamide?
The InChIKey is YFMSNIROPZTONV-HWKANZROSA-N. The full InChI is InChI=1S/C4H9N3/c1-7-4(6)2-3-5/h3,5H,2H2,1H3,(H2,6,7)/b5-3+.
What are the key properties of 3-imino-N'-methylpropanimidamide?
3-imino-N'-methylpropanimidamide has a molecular weight of 99.14 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N'-methylpropanimidamide is sourced from PubChem (CID 90734526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).