trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide

C16H30IN — CID 68771460

IUPACtrimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
SMILESC=CC(C)(C1C(C)=CCCC1(C)C)[N+](C)(C)C.[I-]
InChIInChI=1S/C16H30N.HI/c1-9-16(5,17(6,7)8)14-13(2)11-10-12-15(14,3)4;/h9,11,14H,1,10,12H2,2-8H3;1H/q+1;/p-1
InChIKeyZFUYULSSTKZQAC-UHFFFAOYSA-M
MW363.33 g/mol
LogP1.02
Rot. Bonds3

About trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide

trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide (PubChem CID 68771460) has the molecular formula C16H30IN and a molecular weight of 363.33 g/mol. Its IUPAC name is trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
PubChem CID68771460
Molecular FormulaC16H30IN
Molecular Weight363.33 g/mol
Exact Mass363.14
IUPAC Nametrimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
SMILESC=CC(C)(C1C(C)=CCCC1(C)C)[N+](C)(C)C.[I-]
InChIInChI=1S/C16H30N.HI/c1-9-16(5,17(6,7)8)14-13(2)11-10-12-15(14,3)4;/h9,11,14H,1,10,12H2,2-8H3;1H/q+1;/p-1
InChIKeyZFUYULSSTKZQAC-UHFFFAOYSA-M
XLogP1.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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 trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide?
The IUPAC name of trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide (CID 68771460) is trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide.
What is the SMILES notation for trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide?
The canonical SMILES for trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide is C=CC(C)(C1C(C)=CCCC1(C)C)[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide?
The InChIKey is ZFUYULSSTKZQAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H30N.HI/c1-9-16(5,17(6,7)8)14-13(2)11-10-12-15(14,3)4;/h9,11,14H,1,10,12H2,2-8H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide?
trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide has a molecular weight of 363.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide is sourced from PubChem (CID 68771460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).