(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide

C10H18INO — CID 44888612

IUPAC(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide
SMILESCCOC1=CC(=[NH2+])CC(C)(C)C1.[I-]
InChIInChI=1S/C10H17NO.HI/c1-4-12-9-5-8(11)6-10(2,3)7-9;/h5,11H,4,6-7H2,1-3H3;1H
InChIKeySHNUONSIHQBFRW-UHFFFAOYSA-N
MW295.16 g/mol
LogP-2.07
Rot. Bonds2

About (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide

(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide (PubChem CID 44888612) has the molecular formula C10H18INO and a molecular weight of 295.16 g/mol. Its IUPAC name is (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide.

Molecular Properties

Compound Name(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide
PubChem CID44888612
Molecular FormulaC10H18INO
Molecular Weight295.16 g/mol
Exact Mass295.04
IUPAC Name(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide
SMILESCCOC1=CC(=[NH2+])CC(C)(C)C1.[I-]
InChIInChI=1S/C10H17NO.HI/c1-4-12-9-5-8(11)6-10(2,3)7-9;/h5,11H,4,6-7H2,1-3H3;1H
InChIKeySHNUONSIHQBFRW-UHFFFAOYSA-N
XLogP-2.07
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide?
The IUPAC name of (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide (CID 44888612) is (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide.
What is the SMILES notation for (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide?
The canonical SMILES for (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide is CCOC1=CC(=[NH2+])CC(C)(C)C1.[I-].
What is the InChIKey of (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide?
The InChIKey is SHNUONSIHQBFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.HI/c1-4-12-9-5-8(11)6-10(2,3)7-9;/h5,11H,4,6-7H2,1-3H3;1H.
What are the key properties of (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide?
(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide has a molecular weight of 295.16 g/mol, XLogP of -2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium iodide is sourced from PubChem (CID 44888612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).