3-hydroxy-2-methylpropanimidamide

C4H10N2O — CID 43368944

IUPAC3-hydroxy-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CO
InChIInChI=1S/C4H10N2O/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H3,5,6)
InChIKeyKNKBAVRSYIQXEA-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.45
Rot. Bonds2

About 3-hydroxy-2-methylpropanimidamide

3-hydroxy-2-methylpropanimidamide (PubChem CID 43368944) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 3-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-hydroxy-2-methylpropanimidamide
PubChem CID43368944
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name3-hydroxy-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CO
InChIInChI=1S/C4H10N2O/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H3,5,6)
InChIKeyKNKBAVRSYIQXEA-UHFFFAOYSA-N
XLogP-0.45
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.45
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 3-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-hydroxy-2-methylpropanimidamide (CID 43368944) is 3-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-hydroxy-2-methylpropanimidamide is [H]/N=C(\N)C(C)CO.
What is the InChIKey of 3-hydroxy-2-methylpropanimidamide?
The InChIKey is KNKBAVRSYIQXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H3,5,6).
What are the key properties of 3-hydroxy-2-methylpropanimidamide?
3-hydroxy-2-methylpropanimidamide has a molecular weight of 102.14 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 43368944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).