2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

C14H20N2O — CID 82256351

IUPAC2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCC(C(=O)c1ccc2c(c1)CCCN2)N(C)C
InChIInChI=1S/C14H20N2O/c1-10(16(2)3)14(17)12-6-7-13-11(9-12)5-4-8-15-13/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyABLAKHOUUUWKHS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.18
Rot. Bonds3

About 2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (PubChem CID 82256351) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
PubChem CID82256351
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCC(C(=O)c1ccc2c(c1)CCCN2)N(C)C
InChIInChI=1S/C14H20N2O/c1-10(16(2)3)14(17)12-6-7-13-11(9-12)5-4-8-15-13/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyABLAKHOUUUWKHS-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256335
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43265846
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 102982650
N-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118425
4-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]butanoic acid
CID 82257813
2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256338
2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid
CID 55097185
2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid
CID 82257819

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (CID 82256351) is 2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is CC(C(=O)c1ccc2c(c1)CCCN2)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The InChIKey is ABLAKHOUUUWKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(16(2)3)14(17)12-6-7-13-11(9-12)5-4-8-15-13/h6-7,9-10,15H,4-5,8H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is sourced from PubChem (CID 82256351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).