N'-hydroxy-2-methylpropanimidamide;hydrate

C4H12N2O2 — CID 174797627

IUPACN'-hydroxy-2-methylpropanimidamide;hydrate
SMILESCC(C)C(N)=NO.O
InChIInChI=1S/C4H10N2O.H2O/c1-3(2)4(5)6-7;/h3,7H,1-2H3,(H2,5,6);1H2
InChIKeyIDJQNHJSUCNRSM-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.44
Rot. Bonds1

About N'-hydroxy-2-methylpropanimidamide;hydrate

N'-hydroxy-2-methylpropanimidamide;hydrate (PubChem CID 174797627) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is N'-hydroxy-2-methylpropanimidamide;hydrate.

Molecular Properties

Compound NameN'-hydroxy-2-methylpropanimidamide;hydrate
PubChem CID174797627
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC NameN'-hydroxy-2-methylpropanimidamide;hydrate
SMILESCC(C)C(N)=NO.O
InChIInChI=1S/C4H10N2O.H2O/c1-3(2)4(5)6-7;/h3,7H,1-2H3,(H2,5,6);1H2
InChIKeyIDJQNHJSUCNRSM-UHFFFAOYSA-N
XLogP-0.44
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.44
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-Hydroxy-2-methylpropanimidamide
CID 2794833
N'-hydroxypropanimidamide
CID 6521662
(Z)-N'-Hydroxyisobutyrimidamide
CID 9582835
N'-hydroxybutanimidamide
CID 9582833
N'-Hydroxy-2-methylpropanamidine
CID 5712089
N-Hydroxypropionimidamide
CID 4092053
N-Hydroxybutyramidine
CID 2794811
N-Hydroxypropionamidine
CID 6007839
[(E)-(1-amino-2-methylpropylidene)amino] hypofluorite
CID 153378925
CID 4643229
CID 4643229
N-Hydroxy-3-methyl-butyramidine
CID 4985512
1-(Hydroxyimino)butylamine
CID 5712087

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methylpropanimidamide;hydrate?
The IUPAC name of N'-hydroxy-2-methylpropanimidamide;hydrate (CID 174797627) is N'-hydroxy-2-methylpropanimidamide;hydrate.
What is the SMILES notation for N'-hydroxy-2-methylpropanimidamide;hydrate?
The canonical SMILES for N'-hydroxy-2-methylpropanimidamide;hydrate is CC(C)C(N)=NO.O.
What is the InChIKey of N'-hydroxy-2-methylpropanimidamide;hydrate?
The InChIKey is IDJQNHJSUCNRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O.H2O/c1-3(2)4(5)6-7;/h3,7H,1-2H3,(H2,5,6);1H2.
What are the key properties of N'-hydroxy-2-methylpropanimidamide;hydrate?
N'-hydroxy-2-methylpropanimidamide;hydrate has a molecular weight of 120.15 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 N'-hydroxy-2-methylpropanimidamide;hydrate is sourced from PubChem (CID 174797627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).