2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide

C12H17N3O2 — CID 54994907

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1N(CCO)C1CC1
InChIInChI=1S/C12H17N3O2/c13-12(14-17)10-3-1-2-4-11(10)15(7-8-16)9-5-6-9/h1-4,9,16-17H,5-8H2,(H2,13,14)
InChIKeyZMTJUBSDGDAOMF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.74
Rot. Bonds5

About 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide

2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 54994907) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID54994907
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1N(CCO)C1CC1
InChIInChI=1S/C12H17N3O2/c13-12(14-17)10-3-1-2-4-11(10)15(7-8-16)9-5-6-9/h1-4,9,16-17H,5-8H2,(H2,13,14)
InChIKeyZMTJUBSDGDAOMF-UHFFFAOYSA-N
XLogP0.74
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307954
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109255
2-[cyclohexyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 53408930
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929848
2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
CID 102863255
2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide
CID 115545488
3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76984188
2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79517334
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43614103

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 54994907) is 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccccc1N(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZMTJUBSDGDAOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(14-17)10-3-1-2-4-11(10)15(7-8-16)9-5-6-9/h1-4,9,16-17H,5-8H2,(H2,13,14).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 54994907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).