N-ethyl-N'-hydroxy-N-methylethanimidamide

C5H12N2O — CID 142392745

IUPACN-ethyl-N'-hydroxy-N-methylethanimidamide
SMILESCCN(C)/C(C)=N\O
InChIInChI=1S/C5H12N2O/c1-4-7(3)5(2)6-8/h8H,4H2,1-3H3/b6-5-
InChIKeyFCRMDAXJWMTQAQ-WAYWQWQTSA-N
MW116.16 g/mol
LogP0.75
Rot. Bonds1

About N-ethyl-N'-hydroxy-N-methylethanimidamide

N-ethyl-N'-hydroxy-N-methylethanimidamide (PubChem CID 142392745) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-ethyl-N'-hydroxy-N-methylethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-hydroxy-N-methylethanimidamide
PubChem CID142392745
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-ethyl-N'-hydroxy-N-methylethanimidamide
SMILESCCN(C)/C(C)=N\O
InChIInChI=1S/C5H12N2O/c1-4-7(3)5(2)6-8/h8H,4H2,1-3H3/b6-5-
InChIKeyFCRMDAXJWMTQAQ-WAYWQWQTSA-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-ethyl-N'-hydroxy-N-methylethanimidamide?
The IUPAC name of N-ethyl-N'-hydroxy-N-methylethanimidamide (CID 142392745) is N-ethyl-N'-hydroxy-N-methylethanimidamide.
What is the SMILES notation for N-ethyl-N'-hydroxy-N-methylethanimidamide?
The canonical SMILES for N-ethyl-N'-hydroxy-N-methylethanimidamide is CCN(C)/C(C)=N\O.
What is the InChIKey of N-ethyl-N'-hydroxy-N-methylethanimidamide?
The InChIKey is FCRMDAXJWMTQAQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4-7(3)5(2)6-8/h8H,4H2,1-3H3/b6-5-.
What are the key properties of N-ethyl-N'-hydroxy-N-methylethanimidamide?
N-ethyl-N'-hydroxy-N-methylethanimidamide 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-ethyl-N'-hydroxy-N-methylethanimidamide is sourced from PubChem (CID 142392745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).