N-ethylcyclohex-3-en-1-imine

C8H13N — CID 123229334

IUPACN-ethylcyclohex-3-en-1-imine
SMILESCC/N=C1\CC=CCC1
InChIInChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h3-4H,2,5-7H2,1H3/b9-8+
InChIKeyXWHQMLUBPHLDJE-CMDGGOBGSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds1

About N-ethylcyclohex-3-en-1-imine

N-ethylcyclohex-3-en-1-imine (PubChem CID 123229334) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-ethylcyclohex-3-en-1-imine.

Molecular Properties

Compound NameN-ethylcyclohex-3-en-1-imine
PubChem CID123229334
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-ethylcyclohex-3-en-1-imine
SMILESCC/N=C1\CC=CCC1
InChIInChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h3-4H,2,5-7H2,1H3/b9-8+
InChIKeyXWHQMLUBPHLDJE-CMDGGOBGSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
2-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
Koreenceine A
CID 146683591
3Hlutidine
CID 54235887
6-Ethyl-2,3-dihydropyridine
CID 58693567
(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
CID 67991646
4-fluoro-N-methylcyclohex-2-en-1-imine
CID 123864135
5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 71531028

Frequently Asked Questions

What is the IUPAC name of N-ethylcyclohex-3-en-1-imine?
The IUPAC name of N-ethylcyclohex-3-en-1-imine (CID 123229334) is N-ethylcyclohex-3-en-1-imine.
What is the SMILES notation for N-ethylcyclohex-3-en-1-imine?
The canonical SMILES for N-ethylcyclohex-3-en-1-imine is CC/N=C1\CC=CCC1.
What is the InChIKey of N-ethylcyclohex-3-en-1-imine?
The InChIKey is XWHQMLUBPHLDJE-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h3-4H,2,5-7H2,1H3/b9-8+.
What are the key properties of N-ethylcyclohex-3-en-1-imine?
N-ethylcyclohex-3-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylcyclohex-3-en-1-imine is sourced from PubChem (CID 123229334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).