N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine

C17H24N2O — CID 106328471

IUPACN-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc2cccc(OC)c2n1
InChIInChI=1S/C17H24N2O/c1-5-17(3,6-2)18-12-14-11-10-13-8-7-9-15(20-4)16(13)19-14/h7-11,18H,5-6,12H2,1-4H3
InChIKeyGFNFKVRDNVRAGE-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.91
Rot. Bonds6

About N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine

N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine (PubChem CID 106328471) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
PubChem CID106328471
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc2cccc(OC)c2n1
InChIInChI=1S/C17H24N2O/c1-5-17(3,6-2)18-12-14-11-10-13-8-7-9-15(20-4)16(13)19-14/h7-11,18H,5-6,12H2,1-4H3
InChIKeyGFNFKVRDNVRAGE-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
CID 80703435
3-[(8-methoxyquinolin-2-yl)methylamino]phenol
CID 80702906
N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine
CID 80701790
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
CID 106173051
1-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]pentan-2-amine
CID 80703162
N-[2-(8-methoxyquinolin-2-yl)ethyl]propan-1-amine
CID 80703316
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801
2-(8-methoxyquinolin-2-yl)acetonitrile
CID 82241154
(2R)-1-(8-methoxyquinolin-2-yl)-N-methylpropan-2-amine
CID 59649232
2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
CID 80702043
3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol
CID 106348826

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine (CID 106328471) is N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine is CCC(C)(CC)NCc1ccc2cccc(OC)c2n1.
What is the InChIKey of N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine?
The InChIKey is GFNFKVRDNVRAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-17(3,6-2)18-12-14-11-10-13-8-7-9-15(20-4)16(13)19-14/h7-11,18H,5-6,12H2,1-4H3.
What are the key properties of N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine?
N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine has a molecular weight of 272.39 g/mol, XLogP of 3.91, 6 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]-3-methylpentan-3-amine is sourced from PubChem (CID 106328471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).