2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

C18H28N2O — CID 82256335

IUPAC2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCCCCN(CC)C(C)C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C18H28N2O/c1-4-6-12-20(5-2)14(3)18(21)16-9-10-17-15(13-16)8-7-11-19-17/h9-10,13-14,19H,4-8,11-12H2,1-3H3
InChIKeyMUCDZFIWORVLEN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.74
Rot. Bonds7

About 2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (PubChem CID 82256335) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
PubChem CID82256335
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCCCCN(CC)C(C)C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C18H28N2O/c1-4-6-12-20(5-2)14(3)18(21)16-9-10-17-15(13-16)8-7-11-19-17/h9-10,13-14,19H,4-8,11-12H2,1-3H3
InChIKeyMUCDZFIWORVLEN-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256351
2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82256325
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43265846
butyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 43267445
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 102982650
3-(diethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82050719
N-butyl-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142468
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
N-[3-(dimethylamino)propyl]-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 102992951
2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid
CID 82257819
N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine
CID 82255932

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The IUPAC name of 2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (CID 82256335) is 2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.
What is the SMILES notation for 2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The canonical SMILES for 2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is CCCCN(CC)C(C)C(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The InChIKey is MUCDZFIWORVLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-6-12-20(5-2)14(3)18(21)16-9-10-17-15(13-16)8-7-11-19-17/h9-10,13-14,19H,4-8,11-12H2,1-3H3.
What are the key properties of 2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is sourced from PubChem (CID 82256335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).