N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide

C16H24N2O2 — CID 77062747

IUPACN'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
SMILESCC(C)(CCOC1CCCc2ccccc21)C(N)=NO
InChIInChI=1S/C16H24N2O2/c1-16(2,15(17)18-19)10-11-20-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14,19H,5,7,9-11H2,1-2H3,(H2,17,18)
InChIKeyUONVGXSGGWPTJU-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.24
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide

N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide (PubChem CID 77062747) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
PubChem CID77062747
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
SMILESCC(C)(CCOC1CCCc2ccccc21)C(N)=NO
InChIInChI=1S/C16H24N2O2/c1-16(2,15(17)18-19)10-11-20-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14,19H,5,7,9-11H2,1-2H3,(H2,17,18)
InChIKeyUONVGXSGGWPTJU-UHFFFAOYSA-N
XLogP3.24
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.24
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

2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
CID 65252108
N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide
CID 77063559
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 64814404
N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide
CID 43200026
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 62497436
4-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 43519719
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
2-amino-2-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pentanamide;hydrochloride
CID 119787376
2-(ethylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanamide
CID 63039289
2-(2-methylprop-2-enyl)-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine;hydroiodide
CID 111579478
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide (CID 77062747) is N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide is CC(C)(CCOC1CCCc2ccccc21)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide?
The InChIKey is UONVGXSGGWPTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,15(17)18-19)10-11-20-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14,19H,5,7,9-11H2,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide has a molecular weight of 276.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide is sourced from PubChem (CID 77062747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).