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

C7H17N3O2 — CID 76915046

IUPAC2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCO)C(C)C(N)=NO
InChIInChI=1S/C7H17N3O2/c1-3-10(4-5-11)6(2)7(8)9-12/h6,11-12H,3-5H2,1-2H3,(H2,8,9)
InChIKeyQVHDZEAVUVWPIM-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.56
Rot. Bonds5

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

2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76915046) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76915046
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCO)C(C)C(N)=NO
InChIInChI=1S/C7H17N3O2/c1-3-10(4-5-11)6(2)7(8)9-12/h6,11-12H,3-5H2,1-2H3,(H2,8,9)
InChIKeyQVHDZEAVUVWPIM-UHFFFAOYSA-N
XLogP-0.56
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]propanimidamide
CID 104861637
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 60980113
2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76915169
2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76914953
2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76915276
2-[ethyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60686110
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480136
2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76997749
2-[ethyl(2-hydroxyethyl)amino]butanamide
CID 62900659
2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
CID 62020833
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 60686188
2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 60685692

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (CID 76915046) is 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is CCN(CCO)C(C)C(N)=NO.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is QVHDZEAVUVWPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-3-10(4-5-11)6(2)7(8)9-12/h6,11-12H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 175.23 g/mol, XLogP of -0.56, 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'-hydroxypropanimidamide is sourced from PubChem (CID 76915046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).