[2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium

C15H22N3O+ — CID 3489078

IUPAC[2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium
SMILESC[NH+](C)CC(=O)Nc1c2c(nc3c1CCC3)CCC2
InChIInChI=1S/C15H21N3O/c1-18(2)9-14(19)17-15-10-5-3-7-12(10)16-13-8-4-6-11(13)15/h3-9H2,1-2H3,(H,16,17,19)/p+1
InChIKeyJLXUJPITRIVBOQ-UHFFFAOYSA-O
MW260.36 g/mol
LogP0.14
Rot. Bonds3

About [2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium

[2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium (PubChem CID 3489078) has the molecular formula C15H22N3O+ and a molecular weight of 260.36 g/mol. Its IUPAC name is [2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Name[2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium
PubChem CID3489078
Molecular FormulaC15H22N3O+
Molecular Weight260.36 g/mol
Exact Mass260.18
IUPAC Name[2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium
SMILESC[NH+](C)CC(=O)Nc1c2c(nc3c1CCC3)CCC2
InChIInChI=1S/C15H21N3O/c1-18(2)9-14(19)17-15-10-5-3-7-12(10)16-13-8-4-6-11(13)15/h3-9H2,1-2H3,(H,16,17,19)/p+1
InChIKeyJLXUJPITRIVBOQ-UHFFFAOYSA-O
XLogP0.14
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium with MolForge

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Related Compounds

2-amino-N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)acetamide;oxalic acid
CID 126477711
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium
CID 7046168
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide
CID 3108062
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyridin-1-ium-1-ylacetamide chloride
CID 146048636
N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid
CID 3236741
N-(3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)-2-chloroacetamide
CID 15087760
4-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3-phenylbutanamide
CID 3569162
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-dipentylazanium;2-hydroxy-2-oxoacetate
CID 44659981
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide
CID 3114091
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-(dimethylamino)acetamide;oxalic acid
CID 44784201
[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-dimethylazanium
CID 7047611
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3,4-dimethoxybenzamide
CID 5239068

Frequently Asked Questions

What is the IUPAC name of [2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium?
The IUPAC name of [2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium (CID 3489078) is [2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for [2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium?
The canonical SMILES for [2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium is C[NH+](C)CC(=O)Nc1c2c(nc3c1CCC3)CCC2.
What is the InChIKey of [2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium?
The InChIKey is JLXUJPITRIVBOQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N3O/c1-18(2)9-14(19)17-15-10-5-3-7-12(10)16-13-8-4-6-11(13)15/h3-9H2,1-2H3,(H,16,17,19)/p+1.
What are the key properties of [2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium?
[2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium has a molecular weight of 260.36 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-ylamino)-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 3489078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).