N'-hydroxyethanimidamide;N'-methylethanimidamide

C5H14N4O — CID 172976060

IUPACN'-hydroxyethanimidamide;N'-methylethanimidamide
SMILESC/C(N)=N/O.C/N=C(\C)N
InChIInChI=1S/C3H8N2.C2H6N2O/c1-3(4)5-2;1-2(3)4-5/h1-2H3,(H2,4,5);5H,1H3,(H2,3,4)
InChIKeyJTZBFVFPSPLMOB-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.25
Rot. Bonds

About N'-hydroxyethanimidamide;N'-methylethanimidamide

N'-hydroxyethanimidamide;N'-methylethanimidamide (PubChem CID 172976060) has the molecular formula C5H14N4O and a molecular weight of 146.19 g/mol. Its IUPAC name is N'-hydroxyethanimidamide;N'-methylethanimidamide.

Molecular Properties

Compound NameN'-hydroxyethanimidamide;N'-methylethanimidamide
PubChem CID172976060
Molecular FormulaC5H14N4O
Molecular Weight146.19 g/mol
Exact Mass146.12
IUPAC NameN'-hydroxyethanimidamide;N'-methylethanimidamide
SMILESC/C(N)=N/O.C/N=C(\C)N
InChIInChI=1S/C3H8N2.C2H6N2O/c1-3(4)5-2;1-2(3)4-5/h1-2H3,(H2,4,5);5H,1H3,(H2,3,4)
InChIKeyJTZBFVFPSPLMOB-UHFFFAOYSA-N
XLogP-0.25
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-methylethanimidamide;vanadium
CID 161014708
methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622
acetonitrile;N'-hydroxyethanimidamide;hydroxylamine
CID 172949722
carbamic acid;N-propan-2-ylidenehydroxylamine
CID 22915581
N'-[(Z)-1-aminoethylideneamino]ethanimidamide;ethane
CID 143420874
N'-methylcarbamimidoyl fluoride
CID 141017236
ethane;methane;2-methylguanidine
CID 159190146
cumene;N'-methylethanimidamide
CID 142863724
carbamic acid;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 175173271
3-methyliminobut-1-en-2-amine
CID 142085830
(Z)-3-ethyl-4-methyliminopent-2-en-2-amine
CID 143420792
ethane;2-methylguanidine;molecular hydrogen
CID 142083082

Frequently Asked Questions

What is the IUPAC name of N'-hydroxyethanimidamide;N'-methylethanimidamide?
The IUPAC name of N'-hydroxyethanimidamide;N'-methylethanimidamide (CID 172976060) is N'-hydroxyethanimidamide;N'-methylethanimidamide.
What is the SMILES notation for N'-hydroxyethanimidamide;N'-methylethanimidamide?
The canonical SMILES for N'-hydroxyethanimidamide;N'-methylethanimidamide is C/C(N)=N/O.C/N=C(\C)N.
What is the InChIKey of N'-hydroxyethanimidamide;N'-methylethanimidamide?
The InChIKey is JTZBFVFPSPLMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.C2H6N2O/c1-3(4)5-2;1-2(3)4-5/h1-2H3,(H2,4,5);5H,1H3,(H2,3,4).
What are the key properties of N'-hydroxyethanimidamide;N'-methylethanimidamide?
N'-hydroxyethanimidamide;N'-methylethanimidamide has a molecular weight of 146.19 g/mol, XLogP of -0.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxyethanimidamide;N'-methylethanimidamide is sourced from PubChem (CID 172976060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).