N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide

C8H19N3O3 — CID 76911161

IUPACN'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide
SMILESCOCC(O)CN(C)CCC(N)=NO
InChIInChI=1S/C8H19N3O3/c1-11(4-3-8(9)10-13)5-7(12)6-14-2/h7,12-13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyWJGDPWLSLLMLHP-UHFFFAOYSA-N
MW205.26 g/mol
LogP-0.94
Rot. Bonds7

About N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide

N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide (PubChem CID 76911161) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide
PubChem CID76911161
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC NameN'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide
SMILESCOCC(O)CN(C)CCC(N)=NO
InChIInChI=1S/C8H19N3O3/c1-11(4-3-8(9)10-13)5-7(12)6-14-2/h7,12-13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyWJGDPWLSLLMLHP-UHFFFAOYSA-N
XLogP-0.94
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide (CID 76911161) is N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide is COCC(O)CN(C)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide?
The InChIKey is WJGDPWLSLLMLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3/c1-11(4-3-8(9)10-13)5-7(12)6-14-2/h7,12-13H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide?
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide has a molecular weight of 205.26 g/mol, XLogP of -0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propanimidamide is sourced from PubChem (CID 76911161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).