butanimidamide

C4H10N2 — CID 18182

IUPACbutanimidamide
SMILES[H]/N=C(/N)CCC
InChIInChI=1S/C4H10N2/c1-2-3-4(5)6/h2-3H2,1H3,(H3,5,6)
InChIKeyRXKUYBRRTKRGME-UHFFFAOYSA-N
MW86.14 g/mol
LogP0.72
Rot. Bonds2

About butanimidamide

butanimidamide (PubChem CID 18182) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is butanimidamide.

Molecular Properties

Compound Namebutanimidamide
PubChem CID18182
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Namebutanimidamide
SMILES[H]/N=C(/N)CCC
InChIInChI=1S/C4H10N2/c1-2-3-4(5)6/h2-3H2,1H3,(H3,5,6)
InChIKeyRXKUYBRRTKRGME-UHFFFAOYSA-N
XLogP0.72
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
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 butanimidamide?
The IUPAC name of butanimidamide (CID 18182) is butanimidamide.
What is the SMILES notation for butanimidamide?
The canonical SMILES for butanimidamide is [H]/N=C(/N)CCC.
What is the InChIKey of butanimidamide?
The InChIKey is RXKUYBRRTKRGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2/c1-2-3-4(5)6/h2-3H2,1H3,(H3,5,6).
What are the key properties of butanimidamide?
butanimidamide has a molecular weight of 86.14 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanimidamide is sourced from PubChem (CID 18182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).