N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide

C7H17N3O3 — CID 77029466

IUPACN'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
SMILESCC(NCCOCCO)C(N)=NO
InChIInChI=1S/C7H17N3O3/c1-6(7(8)10-12)9-2-4-13-5-3-11/h6,9,11-12H,2-5H2,1H3,(H2,8,10)
InChIKeyKOSGIEQGBHAQDS-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.28
Rot. Bonds7

About N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide

N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide (PubChem CID 77029466) has the molecular formula C7H17N3O3 and a molecular weight of 191.23 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
PubChem CID77029466
Molecular FormulaC7H17N3O3
Molecular Weight191.23 g/mol
Exact Mass191.13
IUPAC NameN'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
SMILESCC(NCCOCCO)C(N)=NO
InChIInChI=1S/C7H17N3O3/c1-6(7(8)10-12)9-2-4-13-5-3-11/h6,9,11-12H,2-5H2,1H3,(H2,8,10)
InChIKeyKOSGIEQGBHAQDS-UHFFFAOYSA-N
XLogP-1.28
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-hydroxybutylamino)propanimidamide
CID 106842319
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034085
2-[2-(1-aminopropan-2-ylamino)ethoxy]ethanol
CID 103387646
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
CID 106161760
2-[2-(2-hydroxyethoxy)ethylamino]-N-propan-2-ylpropanamide
CID 60654173
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylpropanamide
CID 60672617
2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol
CID 28728057
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol
CID 28728055
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide (CID 77029466) is N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide is CC(NCCOCCO)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide?
The InChIKey is KOSGIEQGBHAQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3/c1-6(7(8)10-12)9-2-4-13-5-3-11/h6,9,11-12H,2-5H2,1H3,(H2,8,10).
What are the key properties of N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide?
N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide has a molecular weight of 191.23 g/mol, XLogP of -1.28, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide is sourced from PubChem (CID 77029466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).