6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C15H20N2O — CID 116993358

IUPAC6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCC(CN)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C15H20N2O/c1-2-10(9-16)12-6-11-4-3-5-17-14(18)8-13(7-12)15(11)17/h6-7,10H,2-5,8-9,16H2,1H3
InChIKeyAAHNCAQTLVIUCP-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.97
Rot. Bonds3

About 6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 116993358) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID116993358
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCC(CN)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C15H20N2O/c1-2-10(9-16)12-6-11-4-3-5-17-14(18)8-13(7-12)15(11)17/h6-7,10H,2-5,8-9,16H2,1H3
InChIKeyAAHNCAQTLVIUCP-UHFFFAOYSA-N
XLogP1.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one with MolForge

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Related Compounds

7-(1-aminopropan-2-yl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 116993145
6-(2-oxopropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 116993333
7-(1-aminoethyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 116993141
N,N-diethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384283
6-(4-aminophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 116993305
methyl 2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylate
CID 116993329
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pentanamide
CID 7526529
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)methanesulfonamide
CID 7161323
ethyl 2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxylate
CID 116993198
N-butyl-N-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7286937
2-ethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
CID 7526527
N-(4-ethylphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384310

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of 6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 116993358) is 6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for 6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for 6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is CCC(CN)c1cc2c3c(c1)CC(=O)N3CCC2.
What is the InChIKey of 6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is AAHNCAQTLVIUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-10(9-16)12-6-11-4-3-5-17-14(18)8-13(7-12)15(11)17/h6-7,10H,2-5,8-9,16H2,1H3.
What are the key properties of 6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 244.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminobutan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 116993358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).