N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide

C11H25N3O2 — CID 106710758

IUPACN'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide
SMILESCN(CCO)CCCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-11(2,10(12)13-16)6-4-5-7-14(3)8-9-15/h15-16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyAMDWPSDXEXRMIB-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.85
Rot. Bonds8

About N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide (PubChem CID 106710758) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide
PubChem CID106710758
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide
SMILESCN(CCO)CCCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-11(2,10(12)13-16)6-4-5-7-14(3)8-9-15/h15-16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyAMDWPSDXEXRMIB-UHFFFAOYSA-N
XLogP0.85
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide (CID 106710758) is N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide is CN(CCO)CCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide?
The InChIKey is AMDWPSDXEXRMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-11(2,10(12)13-16)6-4-5-7-14(3)8-9-15/h15-16H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[2-hydroxyethyl(methyl)amino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).