diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium

C20H28N3O+ — CID 7434626

IUPACdiethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H27N3O/c1-3-23(4-2)14-13-21-20(24)19-15-9-5-7-11-17(15)22-18-12-8-6-10-16(18)19/h5,7,9,11H,3-4,6,8,10,12-14H2,1-2H3,(H,21,24)/p+1
InChIKeyOEDBPEVMRIBDOP-UHFFFAOYSA-O
MW326.46 g/mol
LogP1.77
Rot. Bonds6

About diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium

diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium (PubChem CID 7434626) has the molecular formula C20H28N3O+ and a molecular weight of 326.46 g/mol. Its IUPAC name is diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium
PubChem CID7434626
Molecular FormulaC20H28N3O+
Molecular Weight326.46 g/mol
Exact Mass326.22
IUPAC Namediethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H27N3O/c1-3-23(4-2)14-13-21-20(24)19-15-9-5-7-11-17(15)22-18-12-8-6-10-16(18)19/h5,7,9,11H,3-4,6,8,10,12-14H2,1-2H3,(H,21,24)/p+1
InChIKeyOEDBPEVMRIBDOP-UHFFFAOYSA-O
XLogP1.77
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride
CID 3087110
N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 86293233
methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate
CID 51126378
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 75401963
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46531624
N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 71896095
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247855

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium?
The IUPAC name of diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium (CID 7434626) is diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium.
What is the SMILES notation for diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium?
The canonical SMILES for diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium is CC[NH+](CC)CCNC(=O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium?
The InChIKey is OEDBPEVMRIBDOP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3O/c1-3-23(4-2)14-13-21-20(24)19-15-9-5-7-11-17(15)22-18-12-8-6-10-16(18)19/h5,7,9,11H,3-4,6,8,10,12-14H2,1-2H3,(H,21,24)/p+1.
What are the key properties of diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium?
diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium has a molecular weight of 326.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium is sourced from PubChem (CID 7434626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).