5-hydroxypentanimidamide

C5H12N2O — CID 54349250

IUPAC5-hydroxypentanimidamide
SMILES[H]/N=C(/N)CCCCO
InChIInChI=1S/C5H12N2O/c6-5(7)3-1-2-4-8/h8H,1-4H2,(H3,6,7)
InChIKeyLWYKJYLCTATPBU-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.08
Rot. Bonds4

About 5-hydroxypentanimidamide

5-hydroxypentanimidamide (PubChem CID 54349250) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 5-hydroxypentanimidamide.

Molecular Properties

Compound Name5-hydroxypentanimidamide
PubChem CID54349250
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name5-hydroxypentanimidamide
SMILES[H]/N=C(/N)CCCCO
InChIInChI=1S/C5H12N2O/c6-5(7)3-1-2-4-8/h8H,1-4H2,(H3,6,7)
InChIKeyLWYKJYLCTATPBU-UHFFFAOYSA-N
XLogP0.08
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentanimidamide?
The IUPAC name of 5-hydroxypentanimidamide (CID 54349250) is 5-hydroxypentanimidamide.
What is the SMILES notation for 5-hydroxypentanimidamide?
The canonical SMILES for 5-hydroxypentanimidamide is [H]/N=C(/N)CCCCO.
What is the InChIKey of 5-hydroxypentanimidamide?
The InChIKey is LWYKJYLCTATPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-5(7)3-1-2-4-8/h8H,1-4H2,(H3,6,7).
What are the key properties of 5-hydroxypentanimidamide?
5-hydroxypentanimidamide has a molecular weight of 116.16 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentanimidamide is sourced from PubChem (CID 54349250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).