N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide

C15H22N2O — CID 123743083

IUPACN'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide
SMILESCC1(C)CCC(C)(C)c2cc(C(N)=NO)ccc21
InChIInChI=1S/C15H22N2O/c1-14(2)7-8-15(3,4)12-9-10(13(16)17-18)5-6-11(12)14/h5-6,9,18H,7-8H2,1-4H3,(H2,16,17)
InChIKeyLRSFPBTVSJSFJW-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.13
Rot. Bonds1

About N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide

N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide (PubChem CID 123743083) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide
PubChem CID123743083
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide
SMILESCC1(C)CCC(C)(C)c2cc(C(N)=NO)ccc21
InChIInChI=1S/C15H22N2O/c1-14(2)7-8-15(3,4)12-9-10(13(16)17-18)5-6-11(12)14/h5-6,9,18H,7-8H2,1-4H3,(H2,16,17)
InChIKeyLRSFPBTVSJSFJW-UHFFFAOYSA-N
XLogP3.13
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide?
The IUPAC name of N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide (CID 123743083) is N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide is CC1(C)CCC(C)(C)c2cc(C(N)=NO)ccc21.
What is the InChIKey of N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide?
The InChIKey is LRSFPBTVSJSFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-14(2)7-8-15(3,4)12-9-10(13(16)17-18)5-6-11(12)14/h5-6,9,18H,7-8H2,1-4H3,(H2,16,17).
What are the key properties of N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide?
N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide has a molecular weight of 246.35 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboximidamide is sourced from PubChem (CID 123743083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).