3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one

C16H24N2O — CID 81079948

IUPAC3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C16H24N2O/c1-3-13(10-17)9-16(19)18-11-12(2)8-14-6-4-5-7-15(14)18/h4-7,12-13H,3,8-11,17H2,1-2H3
InChIKeyUAJPKTIYQGPCGH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.59
Rot. Bonds4

About 3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one

3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one (PubChem CID 81079948) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
PubChem CID81079948
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C16H24N2O/c1-3-13(10-17)9-16(19)18-11-12(2)8-14-6-4-5-7-15(14)18/h4-7,12-13H,3,8-11,17H2,1-2H3
InChIKeyUAJPKTIYQGPCGH-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 81080032
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
3-amino-3-(2-chloro-4-methoxy-6-methylphenyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 57044115
2-(5-amino-2-pyridinyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 107338817
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109
(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 103929918
(2S)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-methylsulfanylbutan-1-one
CID 63523011
[5-(aminomethyl)-2-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63723229
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one (CID 81079948) is 3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one is CCC(CN)CC(=O)N1CC(C)Cc2ccccc21.
What is the InChIKey of 3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
The InChIKey is UAJPKTIYQGPCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-13(10-17)9-16(19)18-11-12(2)8-14-6-4-5-7-15(14)18/h4-7,12-13H,3,8-11,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one?
3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one is sourced from PubChem (CID 81079948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).