2-amino-N'-hydroxypentanimidamide

C5H13N3O — CID 77052252

IUPAC2-amino-N'-hydroxypentanimidamide
SMILESCCCC(N)C(N)=NO
InChIInChI=1S/C5H13N3O/c1-2-3-4(6)5(7)8-9/h4,9H,2-3,6H2,1H3,(H2,7,8)
InChIKeyXRCMFMLCQBUXJB-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.14
Rot. Bonds3

About 2-amino-N'-hydroxypentanimidamide

2-amino-N'-hydroxypentanimidamide (PubChem CID 77052252) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-amino-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-amino-N'-hydroxypentanimidamide
PubChem CID77052252
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name2-amino-N'-hydroxypentanimidamide
SMILESCCCC(N)C(N)=NO
InChIInChI=1S/C5H13N3O/c1-2-3-4(6)5(7)8-9/h4,9H,2-3,6H2,1H3,(H2,7,8)
InChIKeyXRCMFMLCQBUXJB-UHFFFAOYSA-N
XLogP-0.14
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.14
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'}, {'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 2-amino-N'-hydroxypentanimidamide?
The IUPAC name of 2-amino-N'-hydroxypentanimidamide (CID 77052252) is 2-amino-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-amino-N'-hydroxypentanimidamide?
The canonical SMILES for 2-amino-N'-hydroxypentanimidamide is CCCC(N)C(N)=NO.
What is the InChIKey of 2-amino-N'-hydroxypentanimidamide?
The InChIKey is XRCMFMLCQBUXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-2-3-4(6)5(7)8-9/h4,9H,2-3,6H2,1H3,(H2,7,8).
What are the key properties of 2-amino-N'-hydroxypentanimidamide?
2-amino-N'-hydroxypentanimidamide has a molecular weight of 131.18 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-hydroxypentanimidamide is sourced from PubChem (CID 77052252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).