2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

C19H30N2O — CID 82256325

IUPAC2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESCCCCN(CCCC)CC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C19H30N2O/c1-3-5-12-21(13-6-4-2)15-19(22)17-9-10-18-16(14-17)8-7-11-20-18/h9-10,14,20H,3-8,11-13,15H2,1-2H3
InChIKeyLKJDLTXHEKNAJR-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.13
Rot. Bonds9

About 2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (PubChem CID 82256325) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.

Molecular Properties

Compound Name2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
PubChem CID82256325
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESCCCCN(CCCC)CC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C19H30N2O/c1-3-5-12-21(13-6-4-2)15-19(22)17-9-10-18-16(14-17)8-7-11-20-18/h9-10,14,20H,3-8,11-13,15H2,1-2H3
InChIKeyLKJDLTXHEKNAJR-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82050719
2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256335
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
butyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 43267445
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
N-butyl-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142468
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
N-[3-(dimethylamino)propyl]-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 102992951
3-[[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]-methylamino]propanoic acid
CID 82102384
3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 93191629

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The IUPAC name of 2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (CID 82256325) is 2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.
What is the SMILES notation for 2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The canonical SMILES for 2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is CCCCN(CCCC)CC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The InChIKey is LKJDLTXHEKNAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-5-12-21(13-6-4-2)15-19(22)17-9-10-18-16(14-17)8-7-11-20-18/h9-10,14,20H,3-8,11-13,15H2,1-2H3.
What are the key properties of 2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone has a molecular weight of 302.46 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is sourced from PubChem (CID 82256325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).