N'-hydroxy-N,N-dimethylpropanimidamide

C5H12N2O — CID 54347887

IUPACN'-hydroxy-N,N-dimethylpropanimidamide
SMILESCCC(=NO)N(C)C
InChIInChI=1S/C5H12N2O/c1-4-5(6-8)7(2)3/h8H,4H2,1-3H3
InChIKeyUDPBBZKZGQSNHK-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.75
Rot. Bonds1

About N'-hydroxy-N,N-dimethylpropanimidamide

N'-hydroxy-N,N-dimethylpropanimidamide (PubChem CID 54347887) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N'-hydroxy-N,N-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-N,N-dimethylpropanimidamide
PubChem CID54347887
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN'-hydroxy-N,N-dimethylpropanimidamide
SMILESCCC(=NO)N(C)C
InChIInChI=1S/C5H12N2O/c1-4-5(6-8)7(2)3/h8H,4H2,1-3H3
InChIKeyUDPBBZKZGQSNHK-UHFFFAOYSA-N
XLogP0.75
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N,N-dimethylpropanimidamide?
The IUPAC name of N'-hydroxy-N,N-dimethylpropanimidamide (CID 54347887) is N'-hydroxy-N,N-dimethylpropanimidamide.
What is the SMILES notation for N'-hydroxy-N,N-dimethylpropanimidamide?
The canonical SMILES for N'-hydroxy-N,N-dimethylpropanimidamide is CCC(=NO)N(C)C.
What is the InChIKey of N'-hydroxy-N,N-dimethylpropanimidamide?
The InChIKey is UDPBBZKZGQSNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4-5(6-8)7(2)3/h8H,4H2,1-3H3.
What are the key properties of N'-hydroxy-N,N-dimethylpropanimidamide?
N'-hydroxy-N,N-dimethylpropanimidamide has a molecular weight of 116.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N,N-dimethylpropanimidamide is sourced from PubChem (CID 54347887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).