N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide

C6H15N3O2 — CID 77028594

IUPACN'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
SMILESCC(O)CNC(C)C(N)=NO
InChIInChI=1S/C6H15N3O2/c1-4(10)3-8-5(2)6(7)9-11/h4-5,8,10-11H,3H2,1-2H3,(H2,7,9)
InChIKeyWHLXFOAOSBVEMF-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.91
Rot. Bonds4

About N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide

N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide (PubChem CID 77028594) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
PubChem CID77028594
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC NameN'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
SMILESCC(O)CNC(C)C(N)=NO
InChIInChI=1S/C6H15N3O2/c1-4(10)3-8-5(2)6(7)9-11/h4-5,8,10-11H,3H2,1-2H3,(H2,7,9)
InChIKeyWHLXFOAOSBVEMF-UHFFFAOYSA-N
XLogP-0.91
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
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-hydroxy-4-methylpentyl)amino]propanimidamide
CID 107153055
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 77027459
methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate
CID 106931964
N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
CID 106842319
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide
CID 77030474
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]propanimidamide
CID 103369627
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
CID 77072344
N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide
CID 77027223

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide (CID 77028594) is N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide is CC(O)CNC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide?
The InChIKey is WHLXFOAOSBVEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-4(10)3-8-5(2)6(7)9-11/h4-5,8,10-11H,3H2,1-2H3,(H2,7,9).
What are the key properties of N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide?
N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide has a molecular weight of 161.20 g/mol, XLogP of -0.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide is sourced from PubChem (CID 77028594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).