methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium

C17H30N+ — CID 170108776

IUPACmethyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium
SMILESCc1ccccc1C(C)(C)[N+](C)(C(C)C)C(C)C
InChIInChI=1S/C17H30N/c1-13(2)18(8,14(3)4)17(6,7)16-12-10-9-11-15(16)5/h9-14H,1-8H3/q+1
InChIKeyQMFBZMXWZDRRHO-UHFFFAOYSA-N
MW248.43 g/mol
LogP4.49
Rot. Bonds4

About methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium

methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium (PubChem CID 170108776) has the molecular formula C17H30N+ and a molecular weight of 248.43 g/mol. Its IUPAC name is methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium.

Molecular Properties

Compound Namemethyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium
PubChem CID170108776
Molecular FormulaC17H30N+
Molecular Weight248.43 g/mol
Exact Mass248.24
IUPAC Namemethyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium
SMILESCc1ccccc1C(C)(C)[N+](C)(C(C)C)C(C)C
InChIInChI=1S/C17H30N/c1-13(2)18(8,14(3)4)17(6,7)16-12-10-9-11-15(16)5/h9-14H,1-8H3/q+1
InChIKeyQMFBZMXWZDRRHO-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 14195588
1-[1-[1,1-bis(2-methylphenyl)ethoxy]-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67863752
2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
1-(1-fluoro-1-iodoethyl)-2-methylbenzene
CID 170359847
1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane
CID 157489586
1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane
CID 157275483
acetylene;1,2-xylene
CID 175515922
CID 66991121
CID 66991121
1,2-xylene
CID 173422016
2-[2-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 21264783
(2R)-2-amino-4-methyl-1,1-bis(2-methylphenyl)pentan-1-ol
CID 22084889
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium?
The IUPAC name of methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium (CID 170108776) is methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium.
What is the SMILES notation for methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium?
The canonical SMILES for methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium is Cc1ccccc1C(C)(C)[N+](C)(C(C)C)C(C)C.
What is the InChIKey of methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium?
The InChIKey is QMFBZMXWZDRRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N/c1-13(2)18(8,14(3)4)17(6,7)16-12-10-9-11-15(16)5/h9-14H,1-8H3/q+1.
What are the key properties of methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium?
methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium has a molecular weight of 248.43 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(2-methylphenyl)propan-2-yl]-di(propan-2-yl)azanium is sourced from PubChem (CID 170108776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).