3-aminobutanimidamide

C4H11N3 — CID 79498893

IUPAC3-aminobutanimidamide
SMILES[H]/N=C(\N)CC(C)N
InChIInChI=1S/C4H11N3/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H3,6,7)
InChIKeySDMBYTJQMSLXAZ-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.34
Rot. Bonds2

About 3-aminobutanimidamide

3-aminobutanimidamide (PubChem CID 79498893) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-aminobutanimidamide.

Molecular Properties

Compound Name3-aminobutanimidamide
PubChem CID79498893
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name3-aminobutanimidamide
SMILES[H]/N=C(\N)CC(C)N
InChIInChI=1S/C4H11N3/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H3,6,7)
InChIKeySDMBYTJQMSLXAZ-UHFFFAOYSA-N
XLogP-0.34
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.34
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-aminobutanimidamide?
The IUPAC name of 3-aminobutanimidamide (CID 79498893) is 3-aminobutanimidamide.
What is the SMILES notation for 3-aminobutanimidamide?
The canonical SMILES for 3-aminobutanimidamide is [H]/N=C(\N)CC(C)N.
What is the InChIKey of 3-aminobutanimidamide?
The InChIKey is SDMBYTJQMSLXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H3,6,7).
What are the key properties of 3-aminobutanimidamide?
3-aminobutanimidamide has a molecular weight of 101.15 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobutanimidamide is sourced from PubChem (CID 79498893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).