N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide

C7H17N3O2 — CID 61424574

IUPACN'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide
SMILESCCCN(CCO)CC(N)=NO
InChIInChI=1S/C7H17N3O2/c1-2-3-10(4-5-11)6-7(8)9-12/h11-12H,2-6H2,1H3,(H2,8,9)
InChIKeyBISSFLYPHHICBP-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.56
Rot. Bonds6

About N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide

N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide (PubChem CID 61424574) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide
PubChem CID61424574
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC NameN'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide
SMILESCCCN(CCO)CC(N)=NO
InChIInChI=1S/C7H17N3O2/c1-2-3-10(4-5-11)6-7(8)9-12/h11-12H,2-6H2,1H3,(H2,8,9)
InChIKeyBISSFLYPHHICBP-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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide (CID 61424574) is N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide is CCCN(CCO)CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide?
The InChIKey is BISSFLYPHHICBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-2-3-10(4-5-11)6-7(8)9-12/h11-12H,2-6H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide?
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide 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 N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide is sourced from PubChem (CID 61424574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).