[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone

C18H22N2O — CID 116600622

IUPAC[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3(CN)CCCCC3)ccc2n1
InChIInChI=1S/C18H22N2O/c1-13-5-6-14-11-15(7-8-16(14)20-13)17(21)18(12-19)9-3-2-4-10-18/h5-8,11H,2-4,9-10,12,19H2,1H3
InChIKeyYCJDWEBSBHPGSM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.64
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone

[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone (PubChem CID 116600622) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
PubChem CID116600622
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3(CN)CCCCC3)ccc2n1
InChIInChI=1S/C18H22N2O/c1-13-5-6-14-11-15(7-8-16(14)20-13)17(21)18(12-19)9-3-2-4-10-18/h5-8,11H,2-4,9-10,12,19H2,1H3
InChIKeyYCJDWEBSBHPGSM-UHFFFAOYSA-N
XLogP3.64
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone
CID 116578986
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 116921658
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023
6-amino-1-(2-methylquinolin-6-yl)hexan-1-one
CID 116549997
[4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116592386
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one
CID 116596565
2-amino-1-(2-methylquinolin-6-yl)propan-1-one
CID 116551720
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
CID 116601146
2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone
CID 103457814

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone (CID 116600622) is [1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)C3(CN)CCCCC3)ccc2n1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone?
The InChIKey is YCJDWEBSBHPGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-5-6-14-11-15(7-8-16(14)20-13)17(21)18(12-19)9-3-2-4-10-18/h5-8,11H,2-4,9-10,12,19H2,1H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone?
[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone has a molecular weight of 282.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 116600622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).