3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one

C13H20N2O — CID 82189202

IUPAC3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one
SMILESCCn1c2c(cc(CN)c1=O)CCCCC2
InChIInChI=1S/C13H20N2O/c1-2-15-12-7-5-3-4-6-10(12)8-11(9-14)13(15)16/h8H,2-7,9,14H2,1H3
InChIKeyOFEROBDCGMEFGV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.60
Rot. Bonds2

About 3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one

3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one (PubChem CID 82189202) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one
PubChem CID82189202
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one
SMILESCCn1c2c(cc(CN)c1=O)CCCCC2
InChIInChI=1S/C13H20N2O/c1-2-15-12-7-5-3-4-6-10(12)8-11(9-14)13(15)16/h8H,2-7,9,14H2,1H3
InChIKeyOFEROBDCGMEFGV-UHFFFAOYSA-N
XLogP1.60
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522932
1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522595
3-bromo-1-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 112547546
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
3-(chloromethyl)-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522536
3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189156
3-(aminomethyl)-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82189118
3-(ethylaminomethyl)-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522286
1-pentyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522314
3-(1-butyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)propanoyl chloride
CID 82522396
3-[amino-(4-chlorophenyl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523256

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one (CID 82189202) is 3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one is CCn1c2c(cc(CN)c1=O)CCCCC2.
What is the InChIKey of 3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one?
The InChIKey is OFEROBDCGMEFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15-12-7-5-3-4-6-10(12)8-11(9-14)13(15)16/h8H,2-7,9,14H2,1H3.
What are the key properties of 3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one?
3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one is sourced from PubChem (CID 82189202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).