5-chloro-4-ethylcyclohex-2-en-1-imine

C8H12ClN — CID 91190445

IUPAC5-chloro-4-ethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CC(CC)C(Cl)C1
InChIInChI=1S/C8H12ClN/c1-2-6-3-4-7(10)5-8(6)9/h3-4,6,8,10H,2,5H2,1H3/b10-7+
InChIKeyLERNVWGFWHTMRQ-JXMROGBWSA-N
MW157.64 g/mol
LogP2.60
Rot. Bonds1

About 5-chloro-4-ethylcyclohex-2-en-1-imine

5-chloro-4-ethylcyclohex-2-en-1-imine (PubChem CID 91190445) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is 5-chloro-4-ethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name5-chloro-4-ethylcyclohex-2-en-1-imine
PubChem CID91190445
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name5-chloro-4-ethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CC(CC)C(Cl)C1
InChIInChI=1S/C8H12ClN/c1-2-6-3-4-7(10)5-8(6)9/h3-4,6,8,10H,2,5H2,1H3/b10-7+
InChIKeyLERNVWGFWHTMRQ-JXMROGBWSA-N
XLogP2.60
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123757457
1-(4-Chlorocyclohex-3-en-1-yl)-1-iminopropane-2-thione
CID 123237593
(Z)-5-(chloromethyl)hept-3-en-2-imine
CID 123284167
4-Ethylcyclohex-2-en-1-imine
CID 123411281
(6Z)-6-(4-chlorocyclohex-3-en-1-ylidene)-5-methylcyclohex-2-en-1-imine
CID 123508351
3-(1-Chloroethyl)-5,6-dimethylhept-2-en-4-imine
CID 123632512
4-Ethyl-6-methylcyclohex-2-en-1-imine
CID 123694075
4-Chloro-5,5-dimethylcyclohex-2-en-1-imine
CID 123737863
2-Chloro-1-cyclohexa-2,4-dien-1-ylethanimine
CID 126587146
(5R,6R)-6-(2-chloroethyl)-5,6-dimethylcyclohex-2-en-1-imine
CID 134177812
6-(4-Chlorobut-1-en-2-yl)-3-methylcyclohexa-2,4-dien-1-imine
CID 166774869
(Z,5R)-5-chloro-6-cyclohexylhept-3-en-2-imine
CID 169844293

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethylcyclohex-2-en-1-imine?
The IUPAC name of 5-chloro-4-ethylcyclohex-2-en-1-imine (CID 91190445) is 5-chloro-4-ethylcyclohex-2-en-1-imine.
What is the SMILES notation for 5-chloro-4-ethylcyclohex-2-en-1-imine?
The canonical SMILES for 5-chloro-4-ethylcyclohex-2-en-1-imine is [H]/N=C1\C=CC(CC)C(Cl)C1.
What is the InChIKey of 5-chloro-4-ethylcyclohex-2-en-1-imine?
The InChIKey is LERNVWGFWHTMRQ-JXMROGBWSA-N. The full InChI is InChI=1S/C8H12ClN/c1-2-6-3-4-7(10)5-8(6)9/h3-4,6,8,10H,2,5H2,1H3/b10-7+.
What are the key properties of 5-chloro-4-ethylcyclohex-2-en-1-imine?
5-chloro-4-ethylcyclohex-2-en-1-imine has a molecular weight of 157.64 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethylcyclohex-2-en-1-imine is sourced from PubChem (CID 91190445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).