cyclobutanecarboximidamide

C5H10N2 — CID 4057533

IUPACcyclobutanecarboximidamide
SMILES[H]/N=C(\N)C1CCC1
InChIInChI=1S/C5H10N2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H3,6,7)
InChIKeyYRTJYDRUQDCJKA-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.72
Rot. Bonds1

About cyclobutanecarboximidamide

cyclobutanecarboximidamide (PubChem CID 4057533) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is cyclobutanecarboximidamide.

Molecular Properties

Compound Namecyclobutanecarboximidamide
PubChem CID4057533
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Namecyclobutanecarboximidamide
SMILES[H]/N=C(\N)C1CCC1
InChIInChI=1S/C5H10N2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H3,6,7)
InChIKeyYRTJYDRUQDCJKA-UHFFFAOYSA-N
XLogP0.72
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 cyclobutanecarboximidamide?
The IUPAC name of cyclobutanecarboximidamide (CID 4057533) is cyclobutanecarboximidamide.
What is the SMILES notation for cyclobutanecarboximidamide?
The canonical SMILES for cyclobutanecarboximidamide is [H]/N=C(\N)C1CCC1.
What is the InChIKey of cyclobutanecarboximidamide?
The InChIKey is YRTJYDRUQDCJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H3,6,7).
What are the key properties of cyclobutanecarboximidamide?
cyclobutanecarboximidamide has a molecular weight of 98.15 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanecarboximidamide is sourced from PubChem (CID 4057533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).