1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium

C19H26NO+ — CID 162205446

IUPAC1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium
SMILESCc1ccc(C(C)(C)C)cc1.Cc1ccc([N+](C)=O)cc1
InChIInChI=1S/C11H16.C8H10NO/c1-9-5-7-10(8-6-9)11(2,3)4;1-7-3-5-8(6-4-7)9(2)10/h5-8H,1-4H3;3-6H,1-2H3/q;+1
InChIKeyZSDAKZDNZGZTTJ-UHFFFAOYSA-N
MW284.42 g/mol
LogP5.33
Rot. Bonds1

About 1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium

1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium (PubChem CID 162205446) has the molecular formula C19H26NO+ and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium.

Molecular Properties

Compound Name1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium
PubChem CID162205446
Molecular FormulaC19H26NO+
Molecular Weight284.42 g/mol
Exact Mass284.20
IUPAC Name1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium
SMILESCc1ccc(C(C)(C)C)cc1.Cc1ccc([N+](C)=O)cc1
InChIInChI=1S/C11H16.C8H10NO/c1-9-5-7-10(8-6-9)11(2,3)4;1-7-3-5-8(6-4-7)9(2)10/h5-8H,1-4H3;3-6H,1-2H3/q;+1
InChIKeyZSDAKZDNZGZTTJ-UHFFFAOYSA-N
XLogP5.33
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-4-methylbenzene
CID 163486601
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-tert-butyl-4-methylbenzene;dibromozinc
CID 174651577
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
1-tert-butyl-4-methylbenzene;1,4-ditert-butyl-2,3,5,6-tetramethylbenzene;methane
CID 159929613
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene
CID 123709825
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
1-(2-acetylphenyl)ethanone;1-tert-butyl-4-methylbenzene
CID 143426148
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium?
The IUPAC name of 1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium (CID 162205446) is 1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium.
What is the SMILES notation for 1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium?
The canonical SMILES for 1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium is Cc1ccc(C(C)(C)C)cc1.Cc1ccc([N+](C)=O)cc1.
What is the InChIKey of 1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium?
The InChIKey is ZSDAKZDNZGZTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C8H10NO/c1-9-5-7-10(8-6-9)11(2,3)4;1-7-3-5-8(6-4-7)9(2)10/h5-8H,1-4H3;3-6H,1-2H3/q;+1.
What are the key properties of 1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium?
1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium has a molecular weight of 284.42 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylbenzene;methyl-(4-methylphenyl)-oxoazanium is sourced from PubChem (CID 162205446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).