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

C18H22N2O — CID 116584736

IUPAC1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone
SMILESNCC1CCCCC1C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H22N2O/c19-12-14-6-1-3-7-16(14)18(21)11-15-10-9-13-5-2-4-8-17(13)20-15/h2,4-5,8-10,14,16H,1,3,6-7,11-12,19H2
InChIKeyAQISONWNFOWLMN-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.11
Rot. Bonds4

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

1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone (PubChem CID 116584736) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone
PubChem CID116584736
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone
SMILESNCC1CCCCC1C(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H22N2O/c19-12-14-6-1-3-7-16(14)18(21)11-15-10-9-13-5-2-4-8-17(13)20-15/h2,4-5,8-10,14,16H,1,3,6-7,11-12,19H2
InChIKeyAQISONWNFOWLMN-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(quinolin-2-ylmethyl)cyclohexyl]methanamine
CID 81010257
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
CID 116584483
3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one
CID 116558652
1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone
CID 64906632
1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone
CID 116584506
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one
CID 43118501
N-(2-aminoethyl)-2-quinolin-2-ylacetamide
CID 110464134
1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone
CID 116584689
1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone
CID 116548351
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone (CID 116584736) is 1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone is NCC1CCCCC1C(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of 1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone?
The InChIKey is AQISONWNFOWLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-12-14-6-1-3-7-16(14)18(21)11-15-10-9-13-5-2-4-8-17(13)20-15/h2,4-5,8-10,14,16H,1,3,6-7,11-12,19H2.
What are the key properties of 1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone?
1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone has a molecular weight of 282.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone is sourced from PubChem (CID 116584736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).