ethyl(trimethyl)azanium;2-methylpropane;styrene

C25H40N+ — CID 90953854

IUPACethyl(trimethyl)azanium;2-methylpropane;styrene
SMILESC=Cc1ccccc1.C=Cc1ccccc1.CC(C)C.CC[N+](C)(C)C
InChIInChI=1S/2C8H8.C5H14N.C4H10/c2*1-2-8-6-4-3-5-7-8;1-5-6(2,3)4;1-4(2)3/h2*2-7H,1H2;5H2,1-4H3;4H,1-3H3/q;;+1;
InChIKeyHZYQAODGFSWUNE-UHFFFAOYSA-N
MW354.60 g/mol
LogP7.03
Rot. Bonds3

About ethyl(trimethyl)azanium;2-methylpropane;styrene

ethyl(trimethyl)azanium;2-methylpropane;styrene (PubChem CID 90953854) has the molecular formula C25H40N+ and a molecular weight of 354.60 g/mol. Its IUPAC name is ethyl(trimethyl)azanium;2-methylpropane;styrene.

Molecular Properties

Compound Nameethyl(trimethyl)azanium;2-methylpropane;styrene
PubChem CID90953854
Molecular FormulaC25H40N+
Molecular Weight354.60 g/mol
Exact Mass354.32
IUPAC Nameethyl(trimethyl)azanium;2-methylpropane;styrene
SMILESC=Cc1ccccc1.C=Cc1ccccc1.CC(C)C.CC[N+](C)(C)C
InChIInChI=1S/2C8H8.C5H14N.C4H10/c2*1-2-8-6-4-3-5-7-8;1-5-6(2,3)4;1-4(2)3/h2*2-7H,1H2;5H2,1-4H3;4H,1-3H3/q;;+1;
InChIKeyHZYQAODGFSWUNE-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.60
LogP ≤ 57.03
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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Frequently Asked Questions

What is the IUPAC name of ethyl(trimethyl)azanium;2-methylpropane;styrene?
The IUPAC name of ethyl(trimethyl)azanium;2-methylpropane;styrene (CID 90953854) is ethyl(trimethyl)azanium;2-methylpropane;styrene.
What is the SMILES notation for ethyl(trimethyl)azanium;2-methylpropane;styrene?
The canonical SMILES for ethyl(trimethyl)azanium;2-methylpropane;styrene is C=Cc1ccccc1.C=Cc1ccccc1.CC(C)C.CC[N+](C)(C)C.
What is the InChIKey of ethyl(trimethyl)azanium;2-methylpropane;styrene?
The InChIKey is HZYQAODGFSWUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8.C5H14N.C4H10/c2*1-2-8-6-4-3-5-7-8;1-5-6(2,3)4;1-4(2)3/h2*2-7H,1H2;5H2,1-4H3;4H,1-3H3/q;;+1;.
What are the key properties of ethyl(trimethyl)azanium;2-methylpropane;styrene?
ethyl(trimethyl)azanium;2-methylpropane;styrene has a molecular weight of 354.60 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trimethyl)azanium;2-methylpropane;styrene is sourced from PubChem (CID 90953854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).