N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide

C11H25N3O3 — CID 103410003

IUPACN'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide
SMILESCOCCOCCCN(CC(N)=NO)C(C)C
InChIInChI=1S/C11H25N3O3/c1-10(2)14(9-11(12)13-15)5-4-6-17-8-7-16-3/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyMSZMZVQHCDJDKH-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.50
Rot. Bonds10

About N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide

N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide (PubChem CID 103410003) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide
PubChem CID103410003
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC NameN'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide
SMILESCOCCOCCCN(CC(N)=NO)C(C)C
InChIInChI=1S/C11H25N3O3/c1-10(2)14(9-11(12)13-15)5-4-6-17-8-7-16-3/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyMSZMZVQHCDJDKH-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

N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
CID 103409985
2-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxyethanimidamide
CID 103409988
N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103409174
N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide
CID 77044643
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
CID 103409990
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 103413010
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 103409983
N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide
CID 77073414
N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
CID 103180044
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide (CID 103410003) is N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide is COCCOCCCN(CC(N)=NO)C(C)C.
What is the InChIKey of N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide?
The InChIKey is MSZMZVQHCDJDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-10(2)14(9-11(12)13-15)5-4-6-17-8-7-16-3/h10,15H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide?
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide 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-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide is sourced from PubChem (CID 103410003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).