N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine

C16H23N3O — CID 81058699

IUPACN-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine
SMILESCCOCCN(C)C(CN)c1ccc2ncccc2c1
InChIInChI=1S/C16H23N3O/c1-3-20-10-9-19(2)16(12-17)14-6-7-15-13(11-14)5-4-8-18-15/h4-8,11,16H,3,9-10,12,17H2,1-2H3
InChIKeyHFTWSJPBLKRHCT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.20
Rot. Bonds7

About N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine

N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine (PubChem CID 81058699) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine
PubChem CID81058699
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine
SMILESCCOCCN(C)C(CN)c1ccc2ncccc2c1
InChIInChI=1S/C16H23N3O/c1-3-20-10-9-19(2)16(12-17)14-6-7-15-13(11-14)5-4-8-18-15/h4-8,11,16H,3,9-10,12,17H2,1-2H3
InChIKeyHFTWSJPBLKRHCT-UHFFFAOYSA-N
XLogP2.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.20
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-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine
CID 63969950
N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378829
N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine
CID 63968287
N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967659
N-methyl-N-(1-methylsulfanylbutan-2-yl)-1-quinolin-6-ylethane-1,2-diamine
CID 115985680
2-quinolin-6-ylpropan-1-amine
CID 79002101
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
1-quinolin-6-ylbutan-1-amine
CID 63095616
N,N-bis(2-ethoxyethyl)-1-pyridin-2-ylethane-1,2-diamine
CID 82965174
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine (CID 81058699) is N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine is CCOCCN(C)C(CN)c1ccc2ncccc2c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine?
The InChIKey is HFTWSJPBLKRHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-20-10-9-19(2)16(12-17)14-6-7-15-13(11-14)5-4-8-18-15/h4-8,11,16H,3,9-10,12,17H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine?
N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine is sourced from PubChem (CID 81058699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).