6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde

C12H21NO — CID 174374900

IUPAC6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde
SMILESCN(C)C1CC(C)(C)C=CC1(C)C=O
InChIInChI=1S/C12H21NO/c1-11(2)6-7-12(3,9-14)10(8-11)13(4)5/h6-7,9-10H,8H2,1-5H3
InChIKeyAQKAKLQFCIIPQS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds2

About 6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde

6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde (PubChem CID 174374900) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde
PubChem CID174374900
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde
SMILESCN(C)C1CC(C)(C)C=CC1(C)C=O
InChIInChI=1S/C12H21NO/c1-11(2)6-7-12(3,9-14)10(8-11)13(4)5/h6-7,9-10H,8H2,1-5H3
InChIKeyAQKAKLQFCIIPQS-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde (CID 174374900) is 6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde is CN(C)C1CC(C)(C)C=CC1(C)C=O.
What is the InChIKey of 6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde?
The InChIKey is AQKAKLQFCIIPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2)6-7-12(3,9-14)10(8-11)13(4)5/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde?
6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde has a molecular weight of 195.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1,4,4-trimethylcyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 174374900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).