2-(diethylamino)cyclohex-3-ene-1-carbaldehyde

C11H19NO — CID 121219528

IUPAC2-(diethylamino)cyclohex-3-ene-1-carbaldehyde
SMILESCCN(CC)C1C=CCCC1C=O
InChIInChI=1S/C11H19NO/c1-3-12(4-2)11-8-6-5-7-10(11)9-13/h6,8-11H,3-5,7H2,1-2H3
InChIKeyWKXPLCYPSKWYIS-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds4

About 2-(diethylamino)cyclohex-3-ene-1-carbaldehyde

2-(diethylamino)cyclohex-3-ene-1-carbaldehyde (PubChem CID 121219528) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(diethylamino)cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name2-(diethylamino)cyclohex-3-ene-1-carbaldehyde
PubChem CID121219528
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(diethylamino)cyclohex-3-ene-1-carbaldehyde
SMILESCCN(CC)C1C=CCCC1C=O
InChIInChI=1S/C11H19NO/c1-3-12(4-2)11-8-6-5-7-10(11)9-13/h6,8-11H,3-5,7H2,1-2H3
InChIKeyWKXPLCYPSKWYIS-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone
CID 134980510
2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
CID 20655773
8-Methyl-8-azabicyclo[3.2.1]oct-6-ene-3-carbaldehyde
CID 21487036
Tert-butyl-(6-formyl-4-methylcyclohex-2-en-1-yl)carbamic acid
CID 21653804
1-methyl-6-propan-2-yl-3,6-dihydro-2H-pyridine-5-carbaldehyde
CID 53700082
Ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid
CID 54457741
1-But-3-en-2-ylpiperidine-3-carbaldehyde
CID 62654924
3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide
CID 89058296
8-[Ethyl(methyl)amino]-2-methyloct-6-enal
CID 90938345
2-[[Cyclohexa-1,3-dien-1-ylmethyl(methyl)amino]methyl]butanal
CID 142850897
Ethane;6-(propylamino)cyclohex-3-ene-1-carbaldehyde
CID 143768006
diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
CID 157343265

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 2-(diethylamino)cyclohex-3-ene-1-carbaldehyde (CID 121219528) is 2-(diethylamino)cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 2-(diethylamino)cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 2-(diethylamino)cyclohex-3-ene-1-carbaldehyde is CCN(CC)C1C=CCCC1C=O.
What is the InChIKey of 2-(diethylamino)cyclohex-3-ene-1-carbaldehyde?
The InChIKey is WKXPLCYPSKWYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-12(4-2)11-8-6-5-7-10(11)9-13/h6,8-11H,3-5,7H2,1-2H3.
What are the key properties of 2-(diethylamino)cyclohex-3-ene-1-carbaldehyde?
2-(diethylamino)cyclohex-3-ene-1-carbaldehyde has a molecular weight of 181.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 121219528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).