4-ethylcyclohex-2-en-1-imine

C8H13N — CID 123411281

IUPAC4-ethylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(CC)CC1
InChIInChI=1S/C8H13N/c1-2-7-3-5-8(9)6-4-7/h3,5,7,9H,2,4,6H2,1H3/b9-8-
InChIKeySPLROLWLBLSRCO-HJWRWDBZSA-N
MW123.20 g/mol
LogP2.38
Rot. Bonds1

About 4-ethylcyclohex-2-en-1-imine

4-ethylcyclohex-2-en-1-imine (PubChem CID 123411281) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4-ethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-ethylcyclohex-2-en-1-imine
PubChem CID123411281
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4-ethylcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(CC)CC1
InChIInChI=1S/C8H13N/c1-2-7-3-5-8(9)6-4-7/h3,5,7,9H,2,4,6H2,1H3/b9-8-
InChIKeySPLROLWLBLSRCO-HJWRWDBZSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-iminocyclohex-2-en-1-amine
CID 123227294
4-chlorocyclohex-2-en-1-imine
CID 123430240
4-imino-N,N-dimethylcyclohex-2-en-1-amine
CID 123329264
6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile
CID 123714000
4-ethyl-6-methylcyclohex-2-en-1-imine
CID 123694075
4-cyclopropylsulfonylcyclohex-2-en-1-imine
CID 91582958
ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate
CID 123779385
4-ethyl-3,5-dimethylcyclohex-2-en-1-imine
CID 123539478
ethane;(3R)-3-ethylcyclopentene
CID 145484001
(3-ethylcyclopenten-1-yl)methanol
CID 22134204
3-ethyl-6-iodocyclohexene
CID 143978325
1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine
CID 123377160

Frequently Asked Questions

What is the IUPAC name of 4-ethylcyclohex-2-en-1-imine?
The IUPAC name of 4-ethylcyclohex-2-en-1-imine (CID 123411281) is 4-ethylcyclohex-2-en-1-imine.
What is the SMILES notation for 4-ethylcyclohex-2-en-1-imine?
The canonical SMILES for 4-ethylcyclohex-2-en-1-imine is [H]/N=C1/C=CC(CC)CC1.
What is the InChIKey of 4-ethylcyclohex-2-en-1-imine?
The InChIKey is SPLROLWLBLSRCO-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H13N/c1-2-7-3-5-8(9)6-4-7/h3,5,7,9H,2,4,6H2,1H3/b9-8-.
What are the key properties of 4-ethylcyclohex-2-en-1-imine?
4-ethylcyclohex-2-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylcyclohex-2-en-1-imine is sourced from PubChem (CID 123411281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).