N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate

C16H22NO- — CID 59280746

IUPACN,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate
SMILESC/N=C(\[O-])c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C16H23NO/c1-15(2)8-9-16(3,4)13-10-11(14(18)17-5)6-7-12(13)15/h6-7,10H,8-9H2,1-5H3,(H,17,18)/p-1
InChIKeyXBLWURJSGAVUMC-UHFFFAOYSA-M
MW244.36 g/mol
LogP2.77
Rot. Bonds1

About N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate

N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate (PubChem CID 59280746) has the molecular formula C16H22NO- and a molecular weight of 244.36 g/mol. Its IUPAC name is N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate.

Molecular Properties

Compound NameN,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate
PubChem CID59280746
Molecular FormulaC16H22NO-
Molecular Weight244.36 g/mol
Exact Mass244.17
IUPAC NameN,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate
SMILESC/N=C(\[O-])c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C16H23NO/c1-15(2)8-9-16(3,4)13-10-11(14(18)17-5)6-7-12(13)15/h6-7,10H,8-9H2,1-5H3,(H,17,18)/p-1
InChIKeyXBLWURJSGAVUMC-UHFFFAOYSA-M
XLogP2.77
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-(diaminomethyl)-7-fluoro-8-(4-fluorophenyl)-5,6-dihydronaphthalene-2-carboximidate
CID 143762483
CID 23711071
CID 23711071
N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate
CID 59280653
1,4,2,5-Dioxadiazine, 3,6-dimesityl-
CID 589425
methyl 2,4,6-tritert-butyl-N-methylbenzenecarboximidate
CID 18630331
6-methyl-1H-2,3-benzoxazine
CID 53843730
methyl N,2,3,5-tetramethylbenzenecarboximidate
CID 54247833
2,2,3-Trimethyl-6-naphthalen-2-yl-3,4-dihydro-1,5,2-oxazasiline
CID 54499747
3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-olate
CID 58830972
N-tert-butyl-4-(4-propan-2-ylphenyl)benzenecarboximidate
CID 59232645
(E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine
CID 59603400
N-[2-(dimethylamino)ethyl]naphthalene-1-carboximidate
CID 59861907

Frequently Asked Questions

What is the IUPAC name of N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate?
The IUPAC name of N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate (CID 59280746) is N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate.
What is the SMILES notation for N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate?
The canonical SMILES for N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate is C/N=C(\[O-])c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate?
The InChIKey is XBLWURJSGAVUMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H23NO/c1-15(2)8-9-16(3,4)13-10-11(14(18)17-5)6-7-12(13)15/h6-7,10H,8-9H2,1-5H3,(H,17,18)/p-1.
What are the key properties of N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate?
N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate has a molecular weight of 244.36 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboximidate is sourced from PubChem (CID 59280746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).