1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone

C18H22N2O — CID 116600615

IUPAC1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone
SMILESNCC1(C(=O)Cc2ccnc3ccccc23)CCCCC1
InChIInChI=1S/C18H22N2O/c19-13-18(9-4-1-5-10-18)17(21)12-14-8-11-20-16-7-3-2-6-15(14)16/h2-3,6-8,11H,1,4-5,9-10,12-13,19H2
InChIKeyQQBATJCFTPNYQW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.26
Rot. Bonds4

About 1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone

1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone (PubChem CID 116600615) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone
PubChem CID116600615
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone
SMILESNCC1(C(=O)Cc2ccnc3ccccc23)CCCCC1
InChIInChI=1S/C18H22N2O/c19-13-18(9-4-1-5-10-18)17(21)12-14-8-11-20-16-7-3-2-6-15(14)16/h2-3,6-8,11H,1,4-5,9-10,12-13,19H2
InChIKeyQQBATJCFTPNYQW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423213
1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 63851922
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
1-[1-(aminomethyl)cycloheptyl]-2-(2,6-difluorophenyl)ethanone
CID 114935488
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-[1-(aminomethyl)cycloheptyl]-2-(2,5-dichlorophenyl)ethanone
CID 116602163
1-quinolin-4-ylbutan-2-one
CID 15695851
1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone
CID 116600671
1,1-dioxo-3-(quinolin-4-ylmethyl)thiolane-3-carboxylic acid
CID 115337922
[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
CID 116600777
2,2-dimethyl-1-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 79834580

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone (CID 116600615) is 1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone is NCC1(C(=O)Cc2ccnc3ccccc23)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone?
The InChIKey is QQBATJCFTPNYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-13-18(9-4-1-5-10-18)17(21)12-14-8-11-20-16-7-3-2-6-15(14)16/h2-3,6-8,11H,1,4-5,9-10,12-13,19H2.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone?
1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone has a molecular weight of 282.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-2-quinolin-4-ylethanone is sourced from PubChem (CID 116600615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).