N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide

C8H19N3O3 — CID 77030893

IUPACN'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide
SMILESCCC(NCC(O)COC)C(N)=NO
InChIInChI=1S/C8H19N3O3/c1-3-7(8(9)11-13)10-4-6(12)5-14-2/h6-7,10,12-13H,3-5H2,1-2H3,(H2,9,11)
InChIKeyGKRCJWHRLJHXFS-UHFFFAOYSA-N
MW205.26 g/mol
LogP-0.89
Rot. Bonds7

About N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide

N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide (PubChem CID 77030893) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide
PubChem CID77030893
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC NameN'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide
SMILESCCC(NCC(O)COC)C(N)=NO
InChIInChI=1S/C8H19N3O3/c1-3-7(8(9)11-13)10-4-6(12)5-14-2/h6-7,10,12-13H,3-5H2,1-2H3,(H2,9,11)
InChIKeyGKRCJWHRLJHXFS-UHFFFAOYSA-N
XLogP-0.89
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-hydroxybutylamino)butanimidamide
CID 104866829
N'-hydroxy-2-(2-methylpropylamino)butanimidamide
CID 77025273
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030890
2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide
CID 77048456
N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide
CID 83143473
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-3-methoxypropyl)amino]methyl]propanimidamide
CID 103369872
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]butanimidamide
CID 106161753
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
CID 77032009
(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
CID 79249235
N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide
CID 107317925
N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030580
2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
CID 83015704

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide (CID 77030893) is N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide is CCC(NCC(O)COC)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide?
The InChIKey is GKRCJWHRLJHXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3/c1-3-7(8(9)11-13)10-4-6(12)5-14-2/h6-7,10,12-13H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide?
N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide has a molecular weight of 205.26 g/mol, XLogP of -0.89, 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-hydroxy-3-methoxypropyl)amino]butanimidamide is sourced from PubChem (CID 77030893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).