2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone

C18H22N2O — CID 116614423

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone
SMILESNCC1(CC(=O)c2cccc3cccnc23)CCCCC1
InChIInChI=1S/C18H22N2O/c19-13-18(9-2-1-3-10-18)12-16(21)15-8-4-6-14-7-5-11-20-17(14)15/h4-8,11H,1-3,9-10,12-13,19H2
InChIKeyPCNZGIUYJQBODN-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.72
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone

2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone (PubChem CID 116614423) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone
PubChem CID116614423
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone
SMILESNCC1(CC(=O)c2cccc3cccnc23)CCCCC1
InChIInChI=1S/C18H22N2O/c19-13-18(9-2-1-3-10-18)12-16(21)15-8-4-6-14-7-5-11-20-17(14)15/h4-8,11H,1-3,9-10,12-13,19H2
InChIKeyPCNZGIUYJQBODN-UHFFFAOYSA-N
XLogP3.72
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone 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

[1-(aminomethyl)cycloheptyl]-quinolin-8-ylmethanone
CID 116602174
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 81167252
[1-(quinolin-8-yloxymethyl)cyclohexyl]methanamine
CID 94696957
N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide
CID 114314027
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone
CID 116599471
2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone
CID 116614429
palladium;quinoline-8-carboxylic acid
CID 174945118
2-[1-(aminomethyl)cyclohexyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737415
2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114737417

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone (CID 116614423) is 2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone is NCC1(CC(=O)c2cccc3cccnc23)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone?
The InChIKey is PCNZGIUYJQBODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-13-18(9-2-1-3-10-18)12-16(21)15-8-4-6-14-7-5-11-20-17(14)15/h4-8,11H,1-3,9-10,12-13,19H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone?
2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone has a molecular weight of 282.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone is sourced from PubChem (CID 116614423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).