5-amino-6-oxoheptanimidamide

C7H15N3O — CID 58534097

IUPAC5-amino-6-oxoheptanimidamide
SMILES[H]/N=C(\N)CCCC(N)C(C)=O
InChIInChI=1S/C7H15N3O/c1-5(11)6(8)3-2-4-7(9)10/h6H,2-4,8H2,1H3,(H3,9,10)
InChIKeyVSUKNPLCQJUTFU-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.01
Rot. Bonds5

About 5-amino-6-oxoheptanimidamide

5-amino-6-oxoheptanimidamide (PubChem CID 58534097) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 5-amino-6-oxoheptanimidamide.

Molecular Properties

Compound Name5-amino-6-oxoheptanimidamide
PubChem CID58534097
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name5-amino-6-oxoheptanimidamide
SMILES[H]/N=C(\N)CCCC(N)C(C)=O
InChIInChI=1S/C7H15N3O/c1-5(11)6(8)3-2-4-7(9)10/h6H,2-4,8H2,1H3,(H3,9,10)
InChIKeyVSUKNPLCQJUTFU-UHFFFAOYSA-N
XLogP0.01
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-amino-6-oxoheptanimidamide?
The IUPAC name of 5-amino-6-oxoheptanimidamide (CID 58534097) is 5-amino-6-oxoheptanimidamide.
What is the SMILES notation for 5-amino-6-oxoheptanimidamide?
The canonical SMILES for 5-amino-6-oxoheptanimidamide is [H]/N=C(\N)CCCC(N)C(C)=O.
What is the InChIKey of 5-amino-6-oxoheptanimidamide?
The InChIKey is VSUKNPLCQJUTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5(11)6(8)3-2-4-7(9)10/h6H,2-4,8H2,1H3,(H3,9,10).
What are the key properties of 5-amino-6-oxoheptanimidamide?
5-amino-6-oxoheptanimidamide has a molecular weight of 157.22 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-oxoheptanimidamide is sourced from PubChem (CID 58534097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).