N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide

C7H17N3O2 — CID 106842319

IUPACN'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
SMILESCC(NCCCCO)C(N)=NO
InChIInChI=1S/C7H17N3O2/c1-6(7(8)10-12)9-4-2-3-5-11/h6,9,11-12H,2-5H2,1H3,(H2,8,10)
InChIKeyAEWQGSMTMQJLLU-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.52
Rot. Bonds6

About N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide

N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide (PubChem CID 106842319) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
PubChem CID106842319
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC NameN'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
SMILESCC(NCCCCO)C(N)=NO
InChIInChI=1S/C7H17N3O2/c1-6(7(8)10-12)9-4-2-3-5-11/h6,9,11-12H,2-5H2,1H3,(H2,8,10)
InChIKeyAEWQGSMTMQJLLU-UHFFFAOYSA-N
XLogP-0.52
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(octylamino)propanimidamide
CID 115568476
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
CID 106161760
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034085
N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide
CID 107317925
N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
CID 77029466
2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide
CID 104876523
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
CID 77072344
N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
CID 77028594
2-(3-hydroxypropylamino)propanamide
CID 43392787

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide (CID 106842319) is N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide is CC(NCCCCO)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide?
The InChIKey is AEWQGSMTMQJLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-6(7(8)10-12)9-4-2-3-5-11/h6,9,11-12H,2-5H2,1H3,(H2,8,10).
What are the key properties of N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide?
N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide has a molecular weight of 175.23 g/mol, XLogP of -0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide is sourced from PubChem (CID 106842319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).