(4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium

C24H50N+ — CID 123248202

IUPAC(4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium
SMILESC=C(C)C(C)(C)C(CC)(CC)CC(C)(C)[N+](C)(C)CCCC(C)(C)C
InChIInChI=1S/C24H50N/c1-14-24(15-2,23(10,11)20(3)4)19-22(8,9)25(12,13)18-16-17-21(5,6)7/h3,14-19H2,1-2,4-13H3/q+1
InChIKeyCLOWGYMAOLKORO-UHFFFAOYSA-N
MW352.67 g/mol
LogP7.47
Rot. Bonds10

About (4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium

(4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium (PubChem CID 123248202) has the molecular formula C24H50N+ and a molecular weight of 352.67 g/mol. Its IUPAC name is (4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium.

Molecular Properties

Compound Name(4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium
PubChem CID123248202
Molecular FormulaC24H50N+
Molecular Weight352.67 g/mol
Exact Mass352.39
IUPAC Name(4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium
SMILESC=C(C)C(C)(C)C(CC)(CC)CC(C)(C)[N+](C)(C)CCCC(C)(C)C
InChIInChI=1S/C24H50N/c1-14-24(15-2,23(10,11)20(3)4)19-22(8,9)25(12,13)18-16-17-21(5,6)7/h3,14-19H2,1-2,4-13H3/q+1
InChIKeyCLOWGYMAOLKORO-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.67
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium?
The IUPAC name of (4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium (CID 123248202) is (4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium.
What is the SMILES notation for (4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium?
The canonical SMILES for (4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium is C=C(C)C(C)(C)C(CC)(CC)CC(C)(C)[N+](C)(C)CCCC(C)(C)C.
What is the InChIKey of (4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium?
The InChIKey is CLOWGYMAOLKORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N/c1-14-24(15-2,23(10,11)20(3)4)19-22(8,9)25(12,13)18-16-17-21(5,6)7/h3,14-19H2,1-2,4-13H3/q+1.
What are the key properties of (4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium?
(4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium has a molecular weight of 352.67 g/mol, XLogP of 7.47, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium is sourced from PubChem (CID 123248202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).