2-hydroxy-2-methyl-N-methylidenepropanimidamide

C5H10N2O — CID 165398140

IUPAC2-hydroxy-2-methyl-N-methylidenepropanimidamide
SMILES[H]/N=C(\N=C)C(C)(C)O
InChIInChI=1S/C5H10N2O/c1-5(2,8)4(6)7-3/h6,8H,3H2,1-2H3/b6-4-
InChIKeyUWRMFVSNIZXIHV-XQRVVYSFSA-N
MW114.15 g/mol
LogP0.44
Rot. Bonds1

About 2-hydroxy-2-methyl-N-methylidenepropanimidamide

2-hydroxy-2-methyl-N-methylidenepropanimidamide (PubChem CID 165398140) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-methylidenepropanimidamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-methylidenepropanimidamide
PubChem CID165398140
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-hydroxy-2-methyl-N-methylidenepropanimidamide
SMILES[H]/N=C(\N=C)C(C)(C)O
InChIInChI=1S/C5H10N2O/c1-5(2,8)4(6)7-3/h6,8H,3H2,1-2H3/b6-4-
InChIKeyUWRMFVSNIZXIHV-XQRVVYSFSA-N
XLogP0.44
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.44
H-Bond Donors ≤ 52
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-methyl-N-methylidenepropanimidamide?
The IUPAC name of 2-hydroxy-2-methyl-N-methylidenepropanimidamide (CID 165398140) is 2-hydroxy-2-methyl-N-methylidenepropanimidamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-methylidenepropanimidamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-methylidenepropanimidamide is [H]/N=C(\N=C)C(C)(C)O.
What is the InChIKey of 2-hydroxy-2-methyl-N-methylidenepropanimidamide?
The InChIKey is UWRMFVSNIZXIHV-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(2,8)4(6)7-3/h6,8H,3H2,1-2H3/b6-4-.
What are the key properties of 2-hydroxy-2-methyl-N-methylidenepropanimidamide?
2-hydroxy-2-methyl-N-methylidenepropanimidamide has a molecular weight of 114.15 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-methylidenepropanimidamide is sourced from PubChem (CID 165398140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).