3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine

C10H17NO — CID 3705223

IUPAC3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=C(OCC)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/b11-8+
InChIKeySEQJHGPDUXYADM-DHZHZOJOSA-N
MW167.25 g/mol
LogP2.75
Rot. Bonds2

About 3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine

3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine (PubChem CID 3705223) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine
PubChem CID3705223
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=C(OCC)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/b11-8+
InChIKeySEQJHGPDUXYADM-DHZHZOJOSA-N
XLogP2.75
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-imine?
The IUPAC name of 3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine (CID 3705223) is 3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine.
What is the SMILES notation for 3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
The canonical SMILES for 3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine is [H]/N=C1\C=C(OCC)CC(C)(C)C1.
What is the InChIKey of 3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
The InChIKey is SEQJHGPDUXYADM-DHZHZOJOSA-N. 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/b11-8+.
What are the key properties of 3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine?
3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine has a molecular weight of 167.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5,5-dimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 3705223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).