6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde

C19H29NO — CID 170151197

IUPAC6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESCCCCCCC(CC)c1ccc2c(c1)CCCN2C=O
InChIInChI=1S/C19H29NO/c1-3-5-6-7-9-16(4-2)17-11-12-19-18(14-17)10-8-13-20(19)15-21/h11-12,14-16H,3-10,13H2,1-2H3
InChIKeyYCVITTUYNNLTNR-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.06
Rot. Bonds8

About 6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde

6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde (PubChem CID 170151197) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde.

Molecular Properties

Compound Name6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
PubChem CID170151197
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESCCCCCCC(CC)c1ccc2c(c1)CCCN2C=O
InChIInChI=1S/C19H29NO/c1-3-5-6-7-9-16(4-2)17-11-12-19-18(14-17)10-8-13-20(19)15-21/h11-12,14-16H,3-10,13H2,1-2H3
InChIKeyYCVITTUYNNLTNR-UHFFFAOYSA-N
XLogP5.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The IUPAC name of 6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde (CID 170151197) is 6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde.
What is the SMILES notation for 6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The canonical SMILES for 6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde is CCCCCCC(CC)c1ccc2c(c1)CCCN2C=O.
What is the InChIKey of 6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The InChIKey is YCVITTUYNNLTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-5-6-7-9-16(4-2)17-11-12-19-18(14-17)10-8-13-20(19)15-21/h11-12,14-16H,3-10,13H2,1-2H3.
What are the key properties of 6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde has a molecular weight of 287.45 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde is sourced from PubChem (CID 170151197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).