5-amino-6-oxoheptanimidamide;methane;yttrium

C8H19N3OY — CID 159719113

IUPAC5-amino-6-oxoheptanimidamide;methane;yttrium
SMILESC.[H]/N=C(\N)CCCC(N)C(C)=O.[Y]
InChIInChI=1S/C7H15N3O.CH4.Y/c1-5(11)6(8)3-2-4-7(9)10;;/h6H,2-4,8H2,1H3,(H3,9,10);1H4;
InChIKeyKTUQXTGGTQPNBD-UHFFFAOYSA-N
MW262.17 g/mol
LogP0.64
Rot. Bonds5

About 5-amino-6-oxoheptanimidamide;methane;yttrium

5-amino-6-oxoheptanimidamide;methane;yttrium (PubChem CID 159719113) has the molecular formula C8H19N3OY and a molecular weight of 262.17 g/mol. Its IUPAC name is 5-amino-6-oxoheptanimidamide;methane;yttrium.

Molecular Properties

Compound Name5-amino-6-oxoheptanimidamide;methane;yttrium
PubChem CID159719113
Molecular FormulaC8H19N3OY
Molecular Weight262.17 g/mol
Exact Mass262.06
IUPAC Name5-amino-6-oxoheptanimidamide;methane;yttrium
SMILESC.[H]/N=C(\N)CCCC(N)C(C)=O.[Y]
InChIInChI=1S/C7H15N3O.CH4.Y/c1-5(11)6(8)3-2-4-7(9)10;;/h6H,2-4,8H2,1H3,(H3,9,10);1H4;
InChIKeyKTUQXTGGTQPNBD-UHFFFAOYSA-N
XLogP0.64
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 50.64
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'}

Analyze 5-amino-6-oxoheptanimidamide;methane;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-oxoheptanimidamide;methane;yttrium?
The IUPAC name of 5-amino-6-oxoheptanimidamide;methane;yttrium (CID 159719113) is 5-amino-6-oxoheptanimidamide;methane;yttrium.
What is the SMILES notation for 5-amino-6-oxoheptanimidamide;methane;yttrium?
The canonical SMILES for 5-amino-6-oxoheptanimidamide;methane;yttrium is C.[H]/N=C(\N)CCCC(N)C(C)=O.[Y].
What is the InChIKey of 5-amino-6-oxoheptanimidamide;methane;yttrium?
The InChIKey is KTUQXTGGTQPNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.CH4.Y/c1-5(11)6(8)3-2-4-7(9)10;;/h6H,2-4,8H2,1H3,(H3,9,10);1H4;.
What are the key properties of 5-amino-6-oxoheptanimidamide;methane;yttrium?
5-amino-6-oxoheptanimidamide;methane;yttrium has a molecular weight of 262.17 g/mol, XLogP of 0.64, 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;methane;yttrium is sourced from PubChem (CID 159719113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).