N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide

C10H23N3O2 — CID 77064023

IUPACN'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide
SMILESCN(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-10(2,9(11)12-15)5-4-6-13(3)7-8-14/h14-15H,4-8H2,1-3H3,(H2,11,12)
InChIKeyWDKXUVCHQSOEFI-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.46
Rot. Bonds7

About N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 77064023) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide
PubChem CID77064023
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide
SMILESCN(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-10(2,9(11)12-15)5-4-6-13(3)7-8-14/h14-15H,4-8H2,1-3H3,(H2,11,12)
InChIKeyWDKXUVCHQSOEFI-UHFFFAOYSA-N
XLogP0.46
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide (CID 77064023) is N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide is CN(CCO)CCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is WDKXUVCHQSOEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-10(2,9(11)12-15)5-4-6-13(3)7-8-14/h14-15H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77064023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).