N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine

C17H25N3O — CID 62296307

IUPACN-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCCN(C)C)nc2ccccc12
InChIInChI=1S/C17H25N3O/c1-4-9-18-13-14-12-17(21-11-10-20(2)3)19-16-8-6-5-7-15(14)16/h5-8,12,18H,4,9-11,13H2,1-3H3
InChIKeyYGOQSXCJQGVXED-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.67
Rot. Bonds8

About N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine

N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine (PubChem CID 62296307) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
PubChem CID62296307
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCCN(C)C)nc2ccccc12
InChIInChI=1S/C17H25N3O/c1-4-9-18-13-14-12-17(21-11-10-20(2)3)19-16-8-6-5-7-15(14)16/h5-8,12,18H,4,9-11,13H2,1-3H3
InChIKeyYGOQSXCJQGVXED-UHFFFAOYSA-N
XLogP2.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine
CID 82005872
N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
CID 63489674
N,N-diethyl-2-[4-(methylaminomethyl)quinolin-2-yl]oxyethanamine
CID 62296835
N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine
CID 62288336
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
CID 152623988
N-[[3-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 61390702
N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
CID 156634614
N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
CID 62298223
N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
CID 63374301
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine
CID 114412568
2-[5-(4-propylquinolin-2-yl)oxypentylamino]ethanethiol;sulfuric acid
CID 90472477

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine (CID 62296307) is N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine is CCCNCc1cc(OCCN(C)C)nc2ccccc12.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine?
The InChIKey is YGOQSXCJQGVXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-9-18-13-14-12-17(21-11-10-20(2)3)19-16-8-6-5-7-15(14)16/h5-8,12,18H,4,9-11,13H2,1-3H3.
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine?
N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62296307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).