3-(methyliminomethylimino)propanimidamide

C5H10N4 — CID 138546342

IUPAC3-(methyliminomethylimino)propanimidamide
SMILES[H]/N=C(\N)C/C=N/C=N/C
InChIInChI=1S/C5H10N4/c1-8-4-9-3-2-5(6)7/h3-4H,2H2,1H3,(H3,6,7)/b8-4+,9-3+
InChIKeyWALPJZODSZGXQG-VBAIDPPHSA-N
MW126.16 g/mol
LogP0.04
Rot. Bonds3

About 3-(methyliminomethylimino)propanimidamide

3-(methyliminomethylimino)propanimidamide (PubChem CID 138546342) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-(methyliminomethylimino)propanimidamide.

Molecular Properties

Compound Name3-(methyliminomethylimino)propanimidamide
PubChem CID138546342
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name3-(methyliminomethylimino)propanimidamide
SMILES[H]/N=C(\N)C/C=N/C=N/C
InChIInChI=1S/C5H10N4/c1-8-4-9-3-2-5(6)7/h3-4H,2H2,1H3,(H3,6,7)/b8-4+,9-3+
InChIKeyWALPJZODSZGXQG-VBAIDPPHSA-N
XLogP0.04
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.04
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-(methyliminomethylimino)propanimidamide?
The IUPAC name of 3-(methyliminomethylimino)propanimidamide (CID 138546342) is 3-(methyliminomethylimino)propanimidamide.
What is the SMILES notation for 3-(methyliminomethylimino)propanimidamide?
The canonical SMILES for 3-(methyliminomethylimino)propanimidamide is [H]/N=C(\N)C/C=N/C=N/C.
What is the InChIKey of 3-(methyliminomethylimino)propanimidamide?
The InChIKey is WALPJZODSZGXQG-VBAIDPPHSA-N. The full InChI is InChI=1S/C5H10N4/c1-8-4-9-3-2-5(6)7/h3-4H,2H2,1H3,(H3,6,7)/b8-4+,9-3+.
What are the key properties of 3-(methyliminomethylimino)propanimidamide?
3-(methyliminomethylimino)propanimidamide has a molecular weight of 126.16 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-(methyliminomethylimino)propanimidamide is sourced from PubChem (CID 138546342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).