5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide

C15H24N2O2 — CID 109374748

IUPAC5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide
SMILESCC(C)(C)c1cccc(OCCCC/C(N)=N/O)c1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-7-6-8-13(11-12)19-10-5-4-9-14(16)17-18/h6-8,11,18H,4-5,9-10H2,1-3H3,(H2,16,17)
InChIKeyYCUNEBTWDOOGTG-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.28
Rot. Bonds6

About 5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide

5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide (PubChem CID 109374748) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide
PubChem CID109374748
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide
SMILESCC(C)(C)c1cccc(OCCCC/C(N)=N/O)c1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-7-6-8-13(11-12)19-10-5-4-9-14(16)17-18/h6-8,11,18H,4-5,9-10H2,1-3H3,(H2,16,17)
InChIKeyYCUNEBTWDOOGTG-UHFFFAOYSA-N
XLogP3.28
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide
CID 43169674
5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
CID 54965601
4-(4-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 43185444
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
1-tert-butyl-3-(5-methoxypentoxy)benzene
CID 71001678
3-(3-tert-butylphenoxy)propanimidamide
CID 43351835
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
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
N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide
CID 76905930
3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol
CID 20619609

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide (CID 109374748) is 5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide is CC(C)(C)c1cccc(OCCCC/C(N)=N/O)c1.
What is the InChIKey of 5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide?
The InChIKey is YCUNEBTWDOOGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)12-7-6-8-13(11-12)19-10-5-4-9-14(16)17-18/h6-8,11,18H,4-5,9-10H2,1-3H3,(H2,16,17).
What are the key properties of 5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide?
5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide has a molecular weight of 264.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide is sourced from PubChem (CID 109374748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).