2-hydroxy-2-methylbutanimidamide

C5H12N2O — CID 23422942

IUPAC2-hydroxy-2-methylbutanimidamide
SMILES[H]/N=C(\N)C(C)(O)CC
InChIInChI=1S/C5H12N2O/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H3,6,7)
InChIKeyXFGRXRDYQOMCSY-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.08
Rot. Bonds2

About 2-hydroxy-2-methylbutanimidamide

2-hydroxy-2-methylbutanimidamide (PubChem CID 23422942) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-hydroxy-2-methylbutanimidamide.

Molecular Properties

Compound Name2-hydroxy-2-methylbutanimidamide
PubChem CID23422942
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-hydroxy-2-methylbutanimidamide
SMILES[H]/N=C(\N)C(C)(O)CC
InChIInChI=1S/C5H12N2O/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H3,6,7)
InChIKeyXFGRXRDYQOMCSY-UHFFFAOYSA-N
XLogP0.08
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
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': '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 2-hydroxy-2-methylbutanimidamide?
The IUPAC name of 2-hydroxy-2-methylbutanimidamide (CID 23422942) is 2-hydroxy-2-methylbutanimidamide.
What is the SMILES notation for 2-hydroxy-2-methylbutanimidamide?
The canonical SMILES for 2-hydroxy-2-methylbutanimidamide is [H]/N=C(\N)C(C)(O)CC.
What is the InChIKey of 2-hydroxy-2-methylbutanimidamide?
The InChIKey is XFGRXRDYQOMCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H3,6,7).
What are the key properties of 2-hydroxy-2-methylbutanimidamide?
2-hydroxy-2-methylbutanimidamide has a molecular weight of 116.16 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylbutanimidamide is sourced from PubChem (CID 23422942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).