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

C10H23N3O3 — CID 103409990

IUPACN'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
SMILESCOCCOCCCN(C)C(C)C(N)=NO
InChIInChI=1S/C10H23N3O3/c1-9(10(11)12-14)13(2)5-4-6-16-8-7-15-3/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyASXYSZONDHCWER-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.11
Rot. Bonds9

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

N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide (PubChem CID 103409990) has the molecular formula C10H23N3O3 and a molecular weight of 233.31 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
PubChem CID103409990
Molecular FormulaC10H23N3O3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC NameN'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
SMILESCOCCOCCCN(C)C(C)C(N)=NO
InChIInChI=1S/C10H23N3O3/c1-9(10(11)12-14)13(2)5-4-6-16-8-7-15-3/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyASXYSZONDHCWER-UHFFFAOYSA-N
XLogP0.11
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
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

2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide
CID 77058097
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 103409983
2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76914953
2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76997749
N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
CID 76928096
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide
CID 103410003
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
CID 103409985
N'-hydroxy-2-[2-hydroxyethyl(2-methoxyethyl)amino]propanimidamide
CID 104861637
N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
CID 103180044
2-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxyethanimidamide
CID 103409988
N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide
CID 76928460
N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide
CID 114015127

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide (CID 103409990) is N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide is COCCOCCCN(C)C(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide?
The InChIKey is ASXYSZONDHCWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3/c1-9(10(11)12-14)13(2)5-4-6-16-8-7-15-3/h9,14H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide?
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide has a molecular weight of 233.31 g/mol, XLogP of 0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide is sourced from PubChem (CID 103409990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).