4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one

C14H20N2O — CID 116555632

IUPAC4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
SMILESCNCCCC(=O)C1CCCc2cccnc21
InChIInChI=1S/C14H20N2O/c1-15-9-4-8-13(17)12-7-2-5-11-6-3-10-16-14(11)12/h3,6,10,12,15H,2,4-5,7-9H2,1H3
InChIKeyJUCIPQFFNWYYJV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.07
Rot. Bonds5

About 4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one

4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one (PubChem CID 116555632) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
PubChem CID116555632
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
SMILESCNCCCC(=O)C1CCCc2cccnc21
InChIInChI=1S/C14H20N2O/c1-15-9-4-8-13(17)12-7-2-5-11-6-3-10-16-14(11)12/h3,6,10,12,15H,2,4-5,7-9H2,1H3
InChIKeyJUCIPQFFNWYYJV-UHFFFAOYSA-N
XLogP2.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one
CID 105114181
2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79746027
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745816
1-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(thian-4-yl)ethanone
CID 105114234
2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745952
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125
3-(3-aminophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 116603381

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one?
The IUPAC name of 4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one (CID 116555632) is 4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one?
The canonical SMILES for 4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one is CNCCCC(=O)C1CCCc2cccnc21.
What is the InChIKey of 4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one?
The InChIKey is JUCIPQFFNWYYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15-9-4-8-13(17)12-7-2-5-11-6-3-10-16-14(11)12/h3,6,10,12,15H,2,4-5,7-9H2,1H3.
What are the key properties of 4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one?
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one is sourced from PubChem (CID 116555632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).