5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide

C11H25N3O — CID 77048454

IUPAC5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide
SMILESCC(C)C(C)CNCCCCC(N)=NO
InChIInChI=1S/C11H25N3O/c1-9(2)10(3)8-13-7-5-4-6-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14)
InChIKeyXGTPYTAHQMSTNQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.78
Rot. Bonds8

About 5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide

5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide (PubChem CID 77048454) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide
PubChem CID77048454
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide
SMILESCC(C)C(C)CNCCCCC(N)=NO
InChIInChI=1S/C11H25N3O/c1-9(2)10(3)8-13-7-5-4-6-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14)
InChIKeyXGTPYTAHQMSTNQ-UHFFFAOYSA-N
XLogP1.78
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide (CID 77048454) is 5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide is CC(C)C(C)CNCCCCC(N)=NO.
What is the InChIKey of 5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide?
The InChIKey is XGTPYTAHQMSTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-9(2)10(3)8-13-7-5-4-6-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of 5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide?
5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77048454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).