2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium

C24H48N+ — CID 89169375

IUPAC2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium
SMILESCC/C(CC(C)C)=[N+](\C(CC(C)(C)C)C(C)(C)C)C(C)(C)C=C(C)C
InChIInChI=1S/C24H48N/c1-14-20(15-18(2)3)25(24(12,13)16-19(4)5)21(23(9,10)11)17-22(6,7)8/h16,18,21H,14-15,17H2,1-13H3/q+1/b25-20-
InChIKeyNHLCYPMISLAHNM-QQTULTPQSA-N
MW350.66 g/mol
LogP7.49
Rot. Bonds7

About 2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium

2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium (PubChem CID 89169375) has the molecular formula C24H48N+ and a molecular weight of 350.66 g/mol. Its IUPAC name is 2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium.

Molecular Properties

Compound Name2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium
PubChem CID89169375
Molecular FormulaC24H48N+
Molecular Weight350.66 g/mol
Exact Mass350.38
IUPAC Name2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium
SMILESCC/C(CC(C)C)=[N+](\C(CC(C)(C)C)C(C)(C)C)C(C)(C)C=C(C)C
InChIInChI=1S/C24H48N/c1-14-20(15-18(2)3)25(24(12,13)16-19(4)5)21(23(9,10)11)17-22(6,7)8/h16,18,21H,14-15,17H2,1-13H3/q+1/b25-20-
InChIKeyNHLCYPMISLAHNM-QQTULTPQSA-N
XLogP7.49
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium?
The IUPAC name of 2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium (CID 89169375) is 2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium.
What is the SMILES notation for 2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium?
The canonical SMILES for 2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium is CC/C(CC(C)C)=[N+](\C(CC(C)(C)C)C(C)(C)C)C(C)(C)C=C(C)C.
What is the InChIKey of 2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium?
The InChIKey is NHLCYPMISLAHNM-QQTULTPQSA-N. The full InChI is InChI=1S/C24H48N/c1-14-20(15-18(2)3)25(24(12,13)16-19(4)5)21(23(9,10)11)17-22(6,7)8/h16,18,21H,14-15,17H2,1-13H3/q+1/b25-20-.
What are the key properties of 2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium?
2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium has a molecular weight of 350.66 g/mol, XLogP of 7.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpent-3-en-2-yl-(5-methylhexan-3-ylidene)-(2,2,5,5-tetramethylhexan-3-yl)azanium is sourced from PubChem (CID 89169375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).