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

C18H22N2O — CID 116592386

IUPAC[4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCC(CN)CC3)ccc2n1
InChIInChI=1S/C18H22N2O/c1-12-2-5-15-10-16(8-9-17(15)20-12)18(21)14-6-3-13(11-19)4-7-14/h2,5,8-10,13-14H,3-4,6-7,11,19H2,1H3
InChIKeyGKEVTUKWYCGHLR-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.49
Rot. Bonds3

About [4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone

[4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone (PubChem CID 116592386) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
PubChem CID116592386
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCC(CN)CC3)ccc2n1
InChIInChI=1S/C18H22N2O/c1-12-2-5-15-10-16(8-9-17(15)20-12)18(21)14-6-3-13(11-19)4-7-14/h2,5,8-10,13-14H,3-4,6-7,11,19H2,1H3
InChIKeyGKEVTUKWYCGHLR-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone (CID 116592386) is [4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)C3CCC(CN)CC3)ccc2n1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone?
The InChIKey is GKEVTUKWYCGHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-2-5-15-10-16(8-9-17(15)20-12)18(21)14-6-3-13(11-19)4-7-14/h2,5,8-10,13-14H,3-4,6-7,11,19H2,1H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone has a molecular weight of 282.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 116592386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).