5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one

C18H26N2O+2 — CID 7268957

IUPAC5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12C[NH+]3CC(C)(C[NH+](C1)C3c1cccc(C)c1)C2=O
InChIInChI=1S/C18H24N2O/c1-4-18-11-19-9-17(3,16(18)21)10-20(12-18)15(19)14-7-5-6-13(2)8-14/h5-8,15H,4,9-12H2,1-3H3/p+2
InChIKeySKBCAPMCFDCYPC-UHFFFAOYSA-P
MW286.42 g/mol
LogP-0.22
Rot. Bonds2

About 5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one

5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 7268957) has the molecular formula C18H26N2O+2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
PubChem CID7268957
Molecular FormulaC18H26N2O+2
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12C[NH+]3CC(C)(C[NH+](C1)C3c1cccc(C)c1)C2=O
InChIInChI=1S/C18H24N2O/c1-4-18-11-19-9-17(3,16(18)21)10-20(12-18)15(19)14-7-5-6-13(2)8-14/h5-8,15H,4,9-12H2,1-3H3/p+2
InChIKeySKBCAPMCFDCYPC-UHFFFAOYSA-P
XLogP-0.22
TPSA25.95 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 81416308
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CID 83260407
4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79437017
1-ethyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 84655385
4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79424206
3,3-dimethyl-2-(3-methylphenyl)oxetane
CID 143264180
(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine
CID 125450470
1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene
CID 142555021
3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione
CID 79436130
(4R)-5,5-dimethyl-4-(3-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171188502
1-amino-3,3-dimethyl-5-(3-methylphenyl)pyrrolidin-2-one
CID 138553748

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one (CID 7268957) is 5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one is CCC12C[NH+]3CC(C)(C[NH+](C1)C3c1cccc(C)c1)C2=O.
What is the InChIKey of 5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is SKBCAPMCFDCYPC-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H24N2O/c1-4-18-11-19-9-17(3,16(18)21)10-20(12-18)15(19)14-7-5-6-13(2)8-14/h5-8,15H,4,9-12H2,1-3H3/p+2.
What are the key properties of 5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 286.42 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 7268957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).