N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide

C11H25N3O3 — CID 103180044

IUPACN'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
SMILESCOCCCOCCN(C)C(C)CC(N)=NO
InChIInChI=1S/C11H25N3O3/c1-10(9-11(12)13-15)14(2)5-8-17-7-4-6-16-3/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyDRKNATMKRTYSOR-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.50
Rot. Bonds10

About N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide

N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide (PubChem CID 103180044) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
PubChem CID103180044
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC NameN'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
SMILESCOCCCOCCN(C)C(C)CC(N)=NO
InChIInChI=1S/C11H25N3O3/c1-10(9-11(12)13-15)14(2)5-8-17-7-4-6-16-3/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyDRKNATMKRTYSOR-UHFFFAOYSA-N
XLogP0.50
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.50
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

3-[2-(3-methoxypropoxy)ethyl-methylamino]butanenitrile
CID 103908563
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104863498
N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide
CID 114995164
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
CID 103409990
3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide
CID 77073448
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide
CID 103410003
3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
CID 103179736
3-[2-(3-methoxypropoxy)ethyl-(2-methylpropyl)amino]propanethioamide
CID 103179742
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
CID 103409985
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide
CID 104563650
2-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxyethanimidamide
CID 103409988

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide (CID 103180044) is N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide is COCCCOCCN(C)C(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide?
The InChIKey is DRKNATMKRTYSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-10(9-11(12)13-15)14(2)5-8-17-7-4-6-16-3/h10,15H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide?
N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide has a molecular weight of 247.34 g/mol, XLogP of 0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide is sourced from PubChem (CID 103180044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).