N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine

C17H25N3O — CID 105378829

IUPACN-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
SMILESCCOCCN(C)C(CN)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H25N3O/c1-4-21-10-9-20(3)17(12-18)15-7-8-16-14(11-15)6-5-13(2)19-16/h5-8,11,17H,4,9-10,12,18H2,1-3H3
InChIKeyDUCDVZJQQJFKMT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.51
Rot. Bonds7

About N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine

N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine (PubChem CID 105378829) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
PubChem CID105378829
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
SMILESCCOCCN(C)C(CN)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H25N3O/c1-4-21-10-9-20(3)17(12-18)15-7-8-16-14(11-15)6-5-13(2)19-16/h5-8,11,17H,4,9-10,12,18H2,1-3H3
InChIKeyDUCDVZJQQJFKMT-UHFFFAOYSA-N
XLogP2.51
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine with MolForge

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Related Compounds

N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine
CID 81058699
N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378810
N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine
CID 105378787
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287
3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172258
[4-ethoxy-1-(2-methylquinolin-6-yl)butyl]hydrazine
CID 105327215
1-(2-methylquinolin-6-yl)-2-propoxyethanamine
CID 81231742
N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine
CID 63969950
1-(2,5-dimethylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81059600
methyl 2-(ethylamino)-2-(2-methylquinolin-6-yl)acetate
CID 105378902
4-amino-3-(2-methylquinolin-6-yl)butan-1-ol
CID 105379707
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine (CID 105378829) is N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine is CCOCCN(C)C(CN)c1ccc2nc(C)ccc2c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine?
The InChIKey is DUCDVZJQQJFKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-21-10-9-20(3)17(12-18)15-7-8-16-14(11-15)6-5-13(2)19-16/h5-8,11,17H,4,9-10,12,18H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine?
N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine has a molecular weight of 287.41 g/mol, XLogP of 2.51, 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-(2-methylquinolin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 105378829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).