5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide

C11H25N3O3 — CID 94230162

IUPAC5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCOCCN(CCCC/C(N)=N/O)CCOC
InChIInChI=1S/C11H25N3O3/c1-16-9-7-14(8-10-17-2)6-4-3-5-11(12)13-15/h15H,3-10H2,1-2H3,(H2,12,13)
InChIKeyANZGQXBSJZNYRU-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.50
Rot. Bonds11

About 5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide

5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 94230162) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
PubChem CID94230162
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCOCCN(CCCC/C(N)=N/O)CCOC
InChIInChI=1S/C11H25N3O3/c1-16-9-7-14(8-10-17-2)6-4-3-5-11(12)13-15/h15H,3-10H2,1-2H3,(H2,12,13)
InChIKeyANZGQXBSJZNYRU-UHFFFAOYSA-N
XLogP0.50
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
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-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide
CID 104863502
5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
CID 107869923
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
CID 76993993
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide
CID 109374606
5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 109374620
N'-hydroxy-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanimidamide
CID 77030327
N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide
CID 106725354
N'-hydroxy-2-[2-methoxyethyl(propyl)amino]ethanimidamide
CID 76927566
5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063702

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide (CID 94230162) is 5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide is COCCN(CCCC/C(N)=N/O)CCOC.
What is the InChIKey of 5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is ANZGQXBSJZNYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-16-9-7-14(8-10-17-2)6-4-3-5-11(12)13-15/h15H,3-10H2,1-2H3,(H2,12,13).
What are the key properties of 5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide?
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 247.34 g/mol, XLogP of 0.50, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 94230162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).