4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal

C13H17NO — CID 164919422

IUPAC4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal
SMILESO=CCCCc1ccc2c(c1)CCCN2
InChIInChI=1S/C13H17NO/c15-9-2-1-4-11-6-7-13-12(10-11)5-3-8-14-13/h6-7,9-10,14H,1-5,8H2
InChIKeyWEWPCFDVYONOHN-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.57
Rot. Bonds4

About 4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal

4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal (PubChem CID 164919422) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal
PubChem CID164919422
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal
SMILESO=CCCCc1ccc2c(c1)CCCN2
InChIInChI=1S/C13H17NO/c15-9-2-1-4-11-6-7-13-12(10-11)5-3-8-14-13/h6-7,9-10,14H,1-5,8H2
InChIKeyWEWPCFDVYONOHN-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine
CID 82255731
6-(2-cyclohexylethyl)-1,2,3,4-tetrahydroquinoline
CID 114192887
N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine
CID 82256820
1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide
CID 131363132
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cyclopropanamine
CID 82256847
6-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydroquinoline
CID 116997911
6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968458
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
CID 115105456
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 23003903

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal (CID 164919422) is 4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal is O=CCCCc1ccc2c(c1)CCCN2.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal?
The InChIKey is WEWPCFDVYONOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-9-2-1-4-11-6-7-13-12(10-11)5-3-8-14-13/h6-7,9-10,14H,1-5,8H2.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal?
4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal has a molecular weight of 203.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal is sourced from PubChem (CID 164919422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).