3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide

C7H17N3O2 — CID 60979839

IUPAC3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCO)CC/C(N)=N/O
InChIInChI=1S/C7H17N3O2/c1-2-10(5-6-11)4-3-7(8)9-12/h11-12H,2-6H2,1H3,(H2,8,9)
InChIKeyLZIKBBMICNDOJD-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.56
Rot. Bonds6

About 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide

3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 60979839) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID60979839
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCO)CC/C(N)=N/O
InChIInChI=1S/C7H17N3O2/c1-2-10(5-6-11)4-3-7(8)9-12/h11-12H,2-6H2,1H3,(H2,8,9)
InChIKeyLZIKBBMICNDOJD-UHFFFAOYSA-N
XLogP-0.56
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.56
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

3-[2-fluoroethyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 80696187
3-[3-fluoropropyl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 81106495
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 107480129
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 107480143
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
CID 107480159
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 107480170
2-[(1-Amino-2-hydroxyethylidene)amino]oxyethyl-trimethylazanium
CID 173231763
3-[Bis(2-hydroxyethyl)amino]propanimidamide
CID 34178668
3-[Bis(2-hydroxyethyl)amino]propanimidamide;dihydrochloride
CID 42614583

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (CID 60979839) is 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is CCN(CCO)CC/C(N)=N/O.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is LZIKBBMICNDOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-2-10(5-6-11)4-3-7(8)9-12/h11-12H,2-6H2,1H3,(H2,8,9).
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 175.23 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 60979839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).