2,5-diethoxycyclohex-2-en-1-imine

C10H17NO2 — CID 123422568

IUPAC2,5-diethoxycyclohex-2-en-1-imine
SMILES[H]/N=C1\CC(OCC)CC=C1OCC
InChIInChI=1S/C10H17NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h6,8,11H,3-5,7H2,1-2H3/b11-9+
InChIKeyCJCIHQYONQDEQY-PKNBQFBNSA-N
MW183.25 g/mol
LogP2.13
Rot. Bonds4

About 2,5-diethoxycyclohex-2-en-1-imine

2,5-diethoxycyclohex-2-en-1-imine (PubChem CID 123422568) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,5-diethoxycyclohex-2-en-1-imine.

Molecular Properties

Compound Name2,5-diethoxycyclohex-2-en-1-imine
PubChem CID123422568
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2,5-diethoxycyclohex-2-en-1-imine
SMILES[H]/N=C1\CC(OCC)CC=C1OCC
InChIInChI=1S/C10H17NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h6,8,11H,3-5,7H2,1-2H3/b11-9+
InChIKeyCJCIHQYONQDEQY-PKNBQFBNSA-N
XLogP2.13
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,5-diethoxycyclohex-2-en-1-imine?
The IUPAC name of 2,5-diethoxycyclohex-2-en-1-imine (CID 123422568) is 2,5-diethoxycyclohex-2-en-1-imine.
What is the SMILES notation for 2,5-diethoxycyclohex-2-en-1-imine?
The canonical SMILES for 2,5-diethoxycyclohex-2-en-1-imine is [H]/N=C1\CC(OCC)CC=C1OCC.
What is the InChIKey of 2,5-diethoxycyclohex-2-en-1-imine?
The InChIKey is CJCIHQYONQDEQY-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h6,8,11H,3-5,7H2,1-2H3/b11-9+.
What are the key properties of 2,5-diethoxycyclohex-2-en-1-imine?
2,5-diethoxycyclohex-2-en-1-imine has a molecular weight of 183.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxycyclohex-2-en-1-imine is sourced from PubChem (CID 123422568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).