6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one

C17H26N2O — CID 116574249

IUPAC6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one
SMILESCC(N)CCCC(C)C(=O)C1CCCc2cccnc21
InChIInChI=1S/C17H26N2O/c1-12(6-3-7-13(2)18)17(20)15-10-4-8-14-9-5-11-19-16(14)15/h5,9,11-13,15H,3-4,6-8,10,18H2,1-2H3
InChIKeyGBYNNJRFQSSUKK-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.22
Rot. Bonds6

About 6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one

6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one (PubChem CID 116574249) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one.

Molecular Properties

Compound Name6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one
PubChem CID116574249
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one
SMILESCC(N)CCCC(C)C(=O)C1CCCc2cccnc21
InChIInChI=1S/C17H26N2O/c1-12(6-3-7-13(2)18)17(20)15-10-4-8-14-9-5-11-19-16(14)15/h5,9,11-13,15H,3-4,6-8,10,18H2,1-2H3
InChIKeyGBYNNJRFQSSUKK-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
4-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylbutan-1-one
CID 116594877
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one
CID 116554606
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 116576909
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 116574150
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one?
The IUPAC name of 6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one (CID 116574249) is 6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one.
What is the SMILES notation for 6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one?
The canonical SMILES for 6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one is CC(N)CCCC(C)C(=O)C1CCCc2cccnc21.
What is the InChIKey of 6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one?
The InChIKey is GBYNNJRFQSSUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(6-3-7-13(2)18)17(20)15-10-4-8-14-9-5-11-19-16(14)15/h5,9,11-13,15H,3-4,6-8,10,18H2,1-2H3.
What are the key properties of 6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one?
6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)heptan-1-one is sourced from PubChem (CID 116574249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).