N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide

C12H26N2O4 — CID 104562250

IUPACN'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide
SMILESCOCCOCCOCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H26N2O4/c1-12(2,11(13)14-15)5-4-6-17-9-10-18-8-7-16-3/h15H,4-10H2,1-3H3,(H2,13,14)
InChIKeyJXEIOEBSZAVQTN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.22
Rot. Bonds11

About N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide (PubChem CID 104562250) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide
PubChem CID104562250
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC NameN'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide
SMILESCOCCOCCOCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H26N2O4/c1-12(2,11(13)14-15)5-4-6-17-9-10-18-8-7-16-3/h15H,4-10H2,1-3H3,(H2,13,14)
InChIKeyJXEIOEBSZAVQTN-UHFFFAOYSA-N
XLogP1.22
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.22
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-methoxyethoxy)-2,2-dimethylpentanimidamide
CID 77063432
N'-hydroxy-6-[4-(2-methoxyethoxy)butylamino]-2,2-dimethylhexanimidamide
CID 106711583
N'-hydroxy-4-(3-methoxypropoxy)-2,2-dimethylbutanimidamide
CID 77062623
N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide
CID 77063203
N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide
CID 106711229
6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711866
5-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063702
5-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064112
5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063177
N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide
CID 77062773
4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062994
N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide
CID 103409998

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide (CID 104562250) is N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide is COCCOCCOCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide?
The InChIKey is JXEIOEBSZAVQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-12(2,11(13)14-15)5-4-6-17-9-10-18-8-7-16-3/h15H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide has a molecular weight of 262.35 g/mol, XLogP of 1.22, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 104562250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).