N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide

C8H15N5O — CID 76982036

IUPACN'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
SMILESCN(CC(N)=NO)Cc1nccn1C
InChIInChI=1S/C8H15N5O/c1-12(5-7(9)11-14)6-8-10-3-4-13(8)2/h3-4,14H,5-6H2,1-2H3,(H2,9,11)
InChIKeyQRRCCWLFEMEMRK-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.40
Rot. Bonds4

About N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide

N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide (PubChem CID 76982036) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
PubChem CID76982036
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
SMILESCN(CC(N)=NO)Cc1nccn1C
InChIInChI=1S/C8H15N5O/c1-12(5-7(9)11-14)6-8-10-3-4-13(8)2/h3-4,14H,5-6H2,1-2H3,(H2,9,11)
InChIKeyQRRCCWLFEMEMRK-UHFFFAOYSA-N
XLogP-0.40
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide
CID 77071596
N'-hydroxy-2-[methyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanimidamide
CID 77098649
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanethioamide
CID 63015012
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
5-fluoro-N'-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarboximidamide
CID 76994264
N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide
CID 76982032
2-[methyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanethioamide
CID 114527904
ethyl 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-oxobutanoate
CID 63896476
N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528083
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 60681661
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 80593803

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide (CID 76982036) is N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide is CN(CC(N)=NO)Cc1nccn1C.
What is the InChIKey of N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide?
The InChIKey is QRRCCWLFEMEMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-12(5-7(9)11-14)6-8-10-3-4-13(8)2/h3-4,14H,5-6H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide?
N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide has a molecular weight of 197.24 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide is sourced from PubChem (CID 76982036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).