N-iminobutanimidamide

C4H9N3 — CID 143359327

IUPACN-iminobutanimidamide
SMILES[H]/N=C(CCC)\N=N\[H]
InChIInChI=1S/C4H9N3/c1-2-3-4(5)7-6/h5-6H,2-3H2,1H3/b5-4-,7-6+
InChIKeyBCWPKBQQLVJEGK-SCFJQAPRSA-N
MW99.14 g/mol
LogP1.79
Rot. Bonds2

About N-iminobutanimidamide

N-iminobutanimidamide (PubChem CID 143359327) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is N-iminobutanimidamide.

Molecular Properties

Compound NameN-iminobutanimidamide
PubChem CID143359327
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC NameN-iminobutanimidamide
SMILES[H]/N=C(CCC)\N=N\[H]
InChIInChI=1S/C4H9N3/c1-2-3-4(5)7-6/h5-6H,2-3H2,1H3/b5-4-,7-6+
InChIKeyBCWPKBQQLVJEGK-SCFJQAPRSA-N
XLogP1.79
TPSA60.06 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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 N-iminobutanimidamide?
The IUPAC name of N-iminobutanimidamide (CID 143359327) is N-iminobutanimidamide.
What is the SMILES notation for N-iminobutanimidamide?
The canonical SMILES for N-iminobutanimidamide is [H]/N=C(CCC)\N=N\[H].
What is the InChIKey of N-iminobutanimidamide?
The InChIKey is BCWPKBQQLVJEGK-SCFJQAPRSA-N. The full InChI is InChI=1S/C4H9N3/c1-2-3-4(5)7-6/h5-6H,2-3H2,1H3/b5-4-,7-6+.
What are the key properties of N-iminobutanimidamide?
N-iminobutanimidamide has a molecular weight of 99.14 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iminobutanimidamide is sourced from PubChem (CID 143359327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).