3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one

C17H26N2O — CID 116576909

IUPAC3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
SMILESCC(C)CC(CN)CC(=O)C1CCCc2cccnc21
InChIInChI=1S/C17H26N2O/c1-12(2)9-13(11-18)10-16(20)15-7-3-5-14-6-4-8-19-17(14)15/h4,6,8,12-13,15H,3,5,7,9-11,18H2,1-2H3
InChIKeyITAOLTJUUDCBIJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.08
Rot. Bonds6

About 3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one

3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one (PubChem CID 116576909) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
PubChem CID116576909
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
SMILESCC(C)CC(CN)CC(=O)C1CCCc2cccnc21
InChIInChI=1S/C17H26N2O/c1-12(2)9-13(11-18)10-16(20)15-7-3-5-14-6-4-8-19-17(14)15/h4,6,8,12-13,15H,3,5,7,9-11,18H2,1-2H3
InChIKeyITAOLTJUUDCBIJ-UHFFFAOYSA-N
XLogP3.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745816
6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one
CID 116574249
2-(3-fluorophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79731702
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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one?
The IUPAC name of 3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one (CID 116576909) is 3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one?
The canonical SMILES for 3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one is CC(C)CC(CN)CC(=O)C1CCCc2cccnc21.
What is the InChIKey of 3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one?
The InChIKey is ITAOLTJUUDCBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)9-13(11-18)10-16(20)15-7-3-5-14-6-4-8-19-17(14)15/h4,6,8,12-13,15H,3,5,7,9-11,18H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one?
3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one is sourced from PubChem (CID 116576909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).