5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde

C11H19NO — CID 174376632

IUPAC5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
SMILESCN(C)C1CC(C=O)C=CC1(C)C
InChIInChI=1S/C11H19NO/c1-11(2)6-5-9(8-13)7-10(11)12(3)4/h5-6,8-10H,7H2,1-4H3
InChIKeyMDWBWUHLOFBWEU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds2

About 5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde

5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde (PubChem CID 174376632) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
PubChem CID174376632
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
SMILESCN(C)C1CC(C=O)C=CC1(C)C
InChIInChI=1S/C11H19NO/c1-11(2)6-5-9(8-13)7-10(11)12(3)4/h5-6,8-10H,7H2,1-4H3
InChIKeyMDWBWUHLOFBWEU-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.72
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

2-(Diethylamino)cyclohex-3-ene-1-carbaldehyde
CID 121219528
2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
CID 20655773
2-Methyl-8-[methyl(propyl)amino]oct-6-enal
CID 173051366
6-(Dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde
CID 174374900
4,4-Dimethyl-6-(methylamino)cyclohex-2-ene-1-carbaldehyde
CID 174375158
6-(Dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174375463
5-(Ethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde
CID 174375465
1,4,4-Trimethyl-5-(methylamino)cyclohex-2-ene-1-carbaldehyde
CID 174375471
6-(Azetidin-1-ylmethyl)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174376058
5-[(Dimethylamino)methyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
CID 174376060
4,4-Dimethyl-5-(methylamino)cyclohex-2-ene-1-carbaldehyde
CID 174376067
4,4-Bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde
CID 174386339

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde (CID 174376632) is 5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde is CN(C)C1CC(C=O)C=CC1(C)C.
What is the InChIKey of 5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The InChIKey is MDWBWUHLOFBWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2)6-5-9(8-13)7-10(11)12(3)4/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde has a molecular weight of 181.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 174376632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).