N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide

C13H18N2O2 — CID 76914985

IUPACN'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(N)=NO
InChIInChI=1S/C13H18N2O2/c1-9(13(14)15-16)17-12-7-6-10-4-2-3-5-11(10)8-12/h6-9,16H,2-5H2,1H3,(H2,14,15)
InChIKeyDZFBOTGTKLFHQN-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.08
Rot. Bonds3

About N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide

N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide (PubChem CID 76914985) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide
PubChem CID76914985
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(N)=NO
InChIInChI=1S/C13H18N2O2/c1-9(13(14)15-16)17-12-7-6-10-4-2-3-5-11(10)8-12/h6-9,16H,2-5H2,1H3,(H2,14,15)
InChIKeyDZFBOTGTKLFHQN-UHFFFAOYSA-N
XLogP2.08
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.08
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-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
CID 82041277
1-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 61398636
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
CID 133162538
(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
3-(2,3-dihydro-1H-inden-5-yloxy)butan-2-amine
CID 61354580
(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100509467
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
2-(2,3-dihydro-1H-inden-5-yloxy)propanal
CID 126971637
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylphenyl)propan-1-one
CID 43411837

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide?
The IUPAC name of N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide (CID 76914985) is N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide is CC(Oc1ccc2c(c1)CCCC2)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide?
The InChIKey is DZFBOTGTKLFHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(13(14)15-16)17-12-7-6-10-4-2-3-5-11(10)8-12/h6-9,16H,2-5H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide?
N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide has a molecular weight of 234.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide is sourced from PubChem (CID 76914985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).