2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde

C15H21NO — CID 87563255

IUPAC2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde
SMILESCCc1cc2c(cc1CC=O)NCCC2(C)C
InChIInChI=1S/C15H21NO/c1-4-11-9-13-14(10-12(11)5-8-17)16-7-6-15(13,2)3/h8-10,16H,4-7H2,1-3H3
InChIKeyLAEONCNABMWJFF-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.08
Rot. Bonds3

About 2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde

2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde (PubChem CID 87563255) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde
PubChem CID87563255
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde
SMILESCCc1cc2c(cc1CC=O)NCCC2(C)C
InChIInChI=1S/C15H21NO/c1-4-11-9-13-14(10-12(11)5-8-17)16-7-6-15(13,2)3/h8-10,16H,4-7H2,1-3H3
InChIKeyLAEONCNABMWJFF-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde?
The IUPAC name of 2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde (CID 87563255) is 2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde.
What is the SMILES notation for 2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde?
The canonical SMILES for 2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde is CCc1cc2c(cc1CC=O)NCCC2(C)C.
What is the InChIKey of 2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde?
The InChIKey is LAEONCNABMWJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-11-9-13-14(10-12(11)5-8-17)16-7-6-15(13,2)3/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde?
2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde has a molecular weight of 231.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)acetaldehyde is sourced from PubChem (CID 87563255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).