3-iminobutanimidamide

C4H9N3 — CID 59122062

IUPAC3-iminobutanimidamide
SMILES[H]/N=C(\N)C/C(C)=N/[H]
InChIInChI=1S/C4H9N3/c1-3(5)2-4(6)7/h5H,2H2,1H3,(H3,6,7)/b5-3+
InChIKeyKXMCMQRZQPXUQC-HWKANZROSA-N
MW99.14 g/mol
LogP0.35
Rot. Bonds2

About 3-iminobutanimidamide

3-iminobutanimidamide (PubChem CID 59122062) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 3-iminobutanimidamide.

Molecular Properties

Compound Name3-iminobutanimidamide
PubChem CID59122062
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name3-iminobutanimidamide
SMILES[H]/N=C(\N)C/C(C)=N/[H]
InChIInChI=1S/C4H9N3/c1-3(5)2-4(6)7/h5H,2H2,1H3,(H3,6,7)/b5-3+
InChIKeyKXMCMQRZQPXUQC-HWKANZROSA-N
XLogP0.35
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 50.35
H-Bond Donors ≤ 53
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-iminobutanimidamide?
The IUPAC name of 3-iminobutanimidamide (CID 59122062) is 3-iminobutanimidamide.
What is the SMILES notation for 3-iminobutanimidamide?
The canonical SMILES for 3-iminobutanimidamide is [H]/N=C(\N)C/C(C)=N/[H].
What is the InChIKey of 3-iminobutanimidamide?
The InChIKey is KXMCMQRZQPXUQC-HWKANZROSA-N. The full InChI is InChI=1S/C4H9N3/c1-3(5)2-4(6)7/h5H,2H2,1H3,(H3,6,7)/b5-3+.
What are the key properties of 3-iminobutanimidamide?
3-iminobutanimidamide has a molecular weight of 99.14 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminobutanimidamide is sourced from PubChem (CID 59122062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).