2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal

C15H21NO — CID 55050873

IUPAC2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal
SMILESCCC(C)(C=O)CN1CCCc2ccccc21
InChIInChI=1S/C15H21NO/c1-3-15(2,12-17)11-16-10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9,12H,3,6,8,10-11H2,1-2H3
InChIKeyQXXJFSNLQGKNLU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.05
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal (PubChem CID 55050873) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal
PubChem CID55050873
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal
SMILESCCC(C)(C=O)CN1CCCc2ccccc21
InChIInChI=1S/C15H21NO/c1-3-15(2,12-17)11-16-10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9,12H,3,6,8,10-11H2,1-2H3
InChIKeyQXXJFSNLQGKNLU-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal
CID 62277904
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal
CID 62277118
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylbutanal
CID 62277527
1-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpropan-2-amine
CID 62846942
1-(2,2-dimethylbutyl)-2,3-dihydroindole
CID 167187652
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
methyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropanoate
CID 79624325
3,4-dihydro-2H-quinolin-1-ylmethyl formate
CID 174811970
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62263045
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal (CID 55050873) is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal is CCC(C)(C=O)CN1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal?
The InChIKey is QXXJFSNLQGKNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-15(2,12-17)11-16-10-6-8-13-7-4-5-9-14(13)16/h4-5,7,9,12H,3,6,8,10-11H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal?
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal has a molecular weight of 231.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal is sourced from PubChem (CID 55050873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).