N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine

C18H24N2O — CID 80702031

IUPACN-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine
SMILESCOc1cccc2ccc(CNC3CCCCC3C)nc12
InChIInChI=1S/C18H24N2O/c1-13-6-3-4-8-16(13)19-12-15-11-10-14-7-5-9-17(21-2)18(14)20-15/h5,7,9-11,13,16,19H,3-4,6,8,12H2,1-2H3
InChIKeyFKTBYFIMEZIZHM-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.91
Rot. Bonds4

About N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine

N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 80702031) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine
PubChem CID80702031
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine
SMILESCOc1cccc2ccc(CNC3CCCCC3C)nc12
InChIInChI=1S/C18H24N2O/c1-13-6-3-4-8-16(13)19-12-15-11-10-14-7-5-9-17(21-2)18(14)20-15/h5,7,9-11,13,16,19H,3-4,6,8,12H2,1-2H3
InChIKeyFKTBYFIMEZIZHM-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine (CID 80702031) is N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine is COc1cccc2ccc(CNC3CCCCC3C)nc12.
What is the InChIKey of N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is FKTBYFIMEZIZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-6-3-4-8-16(13)19-12-15-11-10-14-7-5-9-17(21-2)18(14)20-15/h5,7,9-11,13,16,19H,3-4,6,8,12H2,1-2H3.
What are the key properties of N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine?
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 80702031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).