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

C10H18NO+ — CID 3705222

IUPAC(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium
SMILESCCOC1=CC(=[NH2+])CC(C)(C)C1
InChIInChI=1S/C10H17NO/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5,11H,4,6-7H2,1-3H3/p+1
InChIKeySEQJHGPDUXYADM-UHFFFAOYSA-O
MW168.26 g/mol
LogP0.93
Rot. Bonds2

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

(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium (PubChem CID 3705222) has the molecular formula C10H18NO+ and a molecular weight of 168.26 g/mol. Its IUPAC name is (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium.

Molecular Properties

Compound Name(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium
PubChem CID3705222
Molecular FormulaC10H18NO+
Molecular Weight168.26 g/mol
Exact Mass168.14
IUPAC Name(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium
SMILESCCOC1=CC(=[NH2+])CC(C)(C)C1
InChIInChI=1S/C10H17NO/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5,11H,4,6-7H2,1-3H3/p+1
InChIKeySEQJHGPDUXYADM-UHFFFAOYSA-O
XLogP0.93
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium?
The IUPAC name of (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium (CID 3705222) is (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium.
What is the SMILES notation for (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium?
The canonical SMILES for (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium is CCOC1=CC(=[NH2+])CC(C)(C)C1.
What is the InChIKey of (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium?
The InChIKey is SEQJHGPDUXYADM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17NO/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5,11H,4,6-7H2,1-3H3/p+1.
What are the key properties of (3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium?
(3-ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium has a molecular weight of 168.26 g/mol, XLogP of 0.93, 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 is sourced from PubChem (CID 3705222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).