N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine

C10H15NO — CID 67837643

IUPACN-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine
SMILESCCOC(C)N=C1C=CC=CC1
InChIInChI=1S/C10H15NO/c1-3-12-9(2)11-10-7-5-4-6-8-10/h4-7,9H,3,8H2,1-2H3
InChIKeyRURVGUVIDIBFBF-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.33
Rot. Bonds3

About N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine

N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine (PubChem CID 67837643) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine
PubChem CID67837643
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine
SMILESCCOC(C)N=C1C=CC=CC1
InChIInChI=1S/C10H15NO/c1-3-12-9(2)11-10-7-5-4-6-8-10/h4-7,9H,3,8H2,1-2H3
InChIKeyRURVGUVIDIBFBF-UHFFFAOYSA-N
XLogP2.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
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 N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine (CID 67837643) is N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine is CCOC(C)N=C1C=CC=CC1.
What is the InChIKey of N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is RURVGUVIDIBFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-12-9(2)11-10-7-5-4-6-8-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine?
N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 165.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxyethyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 67837643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).