3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide

C13H20N2O2 — CID 43169674

IUPAC3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide
SMILESCC(C)(C)c1cccc(OCC/C(N)=N/O)c1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)10-5-4-6-11(9-10)17-8-7-12(14)15-16/h4-6,9,16H,7-8H2,1-3H3,(H2,14,15)
InChIKeyAQHJGXNZJJJETJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.50
Rot. Bonds4

About 3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide

3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide (PubChem CID 43169674) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide
PubChem CID43169674
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide
SMILESCC(C)(C)c1cccc(OCC/C(N)=N/O)c1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)10-5-4-6-11(9-10)17-8-7-12(14)15-16/h4-6,9,16H,7-8H2,1-3H3,(H2,14,15)
InChIKeyAQHJGXNZJJJETJ-UHFFFAOYSA-N
XLogP2.50
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide
CID 109374748
3-(3-tert-butylphenoxy)propanimidamide
CID 43351835
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
4-(4-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 43185444
1-(3-tert-butylphenoxy)-4-methylpentan-3-one
CID 39351110
tert-butyl 3-(3-tert-butylphenoxy)propanoate
CID 116659158
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578
1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 64815058
5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
CID 54965601
2-[2-(3-tert-butylphenoxy)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111813089

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide (CID 43169674) is 3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide is CC(C)(C)c1cccc(OCC/C(N)=N/O)c1.
What is the InChIKey of 3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide?
The InChIKey is AQHJGXNZJJJETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)10-5-4-6-11(9-10)17-8-7-12(14)15-16/h4-6,9,16H,7-8H2,1-3H3,(H2,14,15).
What are the key properties of 3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide?
3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide has a molecular weight of 236.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide is sourced from PubChem (CID 43169674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).