2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide

C6H15N3O2 — CID 60979838

IUPAC2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CCO)C/C(N)=N/O
InChIInChI=1S/C6H15N3O2/c1-2-9(3-4-10)5-6(7)8-11/h10-11H,2-5H2,1H3,(H2,7,8)
InChIKeyIOLVHNZTJOMMRB-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.95
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide

2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 60979838) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
PubChem CID60979838
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CCO)C/C(N)=N/O
InChIInChI=1S/C6H15N3O2/c1-2-9(3-4-10)5-6(7)8-11/h10-11H,2-5H2,1H3,(H2,7,8)
InChIKeyIOLVHNZTJOMMRB-UHFFFAOYSA-N
XLogP-0.95
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.95
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-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
CID 107480152
N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanimidamide
CID 107480177
2-[(1-Amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium
CID 173231763
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide
CID 43403420
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide
CID 60702231
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]propanimidamide
CID 60960768
N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanimidamide
CID 60960897
2-[2-Hydroxyethyl(methyl)amino]ethanimidamide
CID 60961419
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 60979839
2-[Ethyl(2-hydroxyethyl)amino]ethanimidamide
CID 60980502
2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
CID 61235232

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide (CID 60979838) is 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide is CCN(CCO)C/C(N)=N/O.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is IOLVHNZTJOMMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-2-9(3-4-10)5-6(7)8-11/h10-11H,2-5H2,1H3,(H2,7,8).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 161.20 g/mol, XLogP of -0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 60979838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).