(3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide

C10H18INO — CID 10946342

IUPAC(3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide
SMILESC/[NH+]=C1\C=C(OC)CC(C)(C)C1.[I-]
InChIInChI=1S/C10H17NO.HI/c1-10(2)6-8(11-3)5-9(7-10)12-4;/h5H,6-7H2,1-4H3;1H/b11-8+;
InChIKeyNDMDZDBWNXVBHQ-YGCVIUNWSA-N
MW295.16 g/mol
LogP-2.51
Rot. Bonds1

About (3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide

(3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide (PubChem CID 10946342) has the molecular formula C10H18INO and a molecular weight of 295.16 g/mol. Its IUPAC name is (3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide.

Molecular Properties

Compound Name(3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide
PubChem CID10946342
Molecular FormulaC10H18INO
Molecular Weight295.16 g/mol
Exact Mass295.04
IUPAC Name(3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide
SMILESC/[NH+]=C1\C=C(OC)CC(C)(C)C1.[I-]
InChIInChI=1S/C10H17NO.HI/c1-10(2)6-8(11-3)5-9(7-10)12-4;/h5H,6-7H2,1-4H3;1H/b11-8+;
InChIKeyNDMDZDBWNXVBHQ-YGCVIUNWSA-N
XLogP-2.51
TPSA23.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 5-2.51
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'}

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide?
The IUPAC name of (3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide (CID 10946342) is (3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide.
What is the SMILES notation for (3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide?
The canonical SMILES for (3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide is C/[NH+]=C1\C=C(OC)CC(C)(C)C1.[I-].
What is the InChIKey of (3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide?
The InChIKey is NDMDZDBWNXVBHQ-YGCVIUNWSA-N. The full InChI is InChI=1S/C10H17NO.HI/c1-10(2)6-8(11-3)5-9(7-10)12-4;/h5H,6-7H2,1-4H3;1H/b11-8+;.
What are the key properties of (3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide?
(3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide has a molecular weight of 295.16 g/mol, XLogP of -2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5,5-dimethylcyclohex-2-en-1-ylidene)-methylazanium iodide is sourced from PubChem (CID 10946342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).