ethane;styrene;tributyl(ethyl)azanium

C32H54N+ — CID 91367634

IUPACethane;styrene;tributyl(ethyl)azanium
SMILESC=Cc1ccccc1.C=Cc1ccccc1.CC.CCCC[N+](CC)(CCCC)CCCC
InChIInChI=1S/C14H32N.2C8H8.C2H6/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;2*1-2-8-6-4-3-5-7-8;1-2/h5-14H2,1-4H3;2*2-7H,1H2;1-2H3/q+1;;;
InChIKeyKGYPGDOWHUUPIR-UHFFFAOYSA-N
MW452.79 g/mol
LogP9.91
Rot. Bonds12

About ethane;styrene;tributyl(ethyl)azanium

ethane;styrene;tributyl(ethyl)azanium (PubChem CID 91367634) has the molecular formula C32H54N+ and a molecular weight of 452.79 g/mol. Its IUPAC name is ethane;styrene;tributyl(ethyl)azanium.

Molecular Properties

Compound Nameethane;styrene;tributyl(ethyl)azanium
PubChem CID91367634
Molecular FormulaC32H54N+
Molecular Weight452.79 g/mol
Exact Mass452.43
IUPAC Nameethane;styrene;tributyl(ethyl)azanium
SMILESC=Cc1ccccc1.C=Cc1ccccc1.CC.CCCC[N+](CC)(CCCC)CCCC
InChIInChI=1S/C14H32N.2C8H8.C2H6/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;2*1-2-8-6-4-3-5-7-8;1-2/h5-14H2,1-4H3;2*2-7H,1H2;1-2H3/q+1;;;
InChIKeyKGYPGDOWHUUPIR-UHFFFAOYSA-N
XLogP9.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.79
LogP ≤ 59.91
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 ethane;styrene;tributyl(ethyl)azanium?
The IUPAC name of ethane;styrene;tributyl(ethyl)azanium (CID 91367634) is ethane;styrene;tributyl(ethyl)azanium.
What is the SMILES notation for ethane;styrene;tributyl(ethyl)azanium?
The canonical SMILES for ethane;styrene;tributyl(ethyl)azanium is C=Cc1ccccc1.C=Cc1ccccc1.CC.CCCC[N+](CC)(CCCC)CCCC.
What is the InChIKey of ethane;styrene;tributyl(ethyl)azanium?
The InChIKey is KGYPGDOWHUUPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N.2C8H8.C2H6/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;2*1-2-8-6-4-3-5-7-8;1-2/h5-14H2,1-4H3;2*2-7H,1H2;1-2H3/q+1;;;.
What are the key properties of ethane;styrene;tributyl(ethyl)azanium?
ethane;styrene;tributyl(ethyl)azanium has a molecular weight of 452.79 g/mol, XLogP of 9.91, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;styrene;tributyl(ethyl)azanium is sourced from PubChem (CID 91367634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).