N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine

C16H24N4 — CID 63969950

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine
SMILESCN(C)CCN(C)C(CN)c1ccc2ncccc2c1
InChIInChI=1S/C16H24N4/c1-19(2)9-10-20(3)16(12-17)14-6-7-15-13(11-14)5-4-8-18-15/h4-8,11,16H,9-10,12,17H2,1-3H3
InChIKeyYALLICHSEZDYSO-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine

N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine (PubChem CID 63969950) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine
PubChem CID63969950
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine
SMILESCN(C)CCN(C)C(CN)c1ccc2ncccc2c1
InChIInChI=1S/C16H24N4/c1-19(2)9-10-20(3)16(12-17)14-6-7-15-13(11-14)5-4-8-18-15/h4-8,11,16H,9-10,12,17H2,1-3H3
InChIKeyYALLICHSEZDYSO-UHFFFAOYSA-N
XLogP1.73
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine
CID 81058699
N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967659
N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine
CID 63968287
N-methyl-N-(1-methylsulfanylbutan-2-yl)-1-quinolin-6-ylethane-1,2-diamine
CID 115985680
2-quinolin-6-ylpropan-1-amine
CID 79002101
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
1-quinolin-6-ylbutan-1-amine
CID 63095616
N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378829
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine (CID 63969950) is N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine is CN(C)CCN(C)C(CN)c1ccc2ncccc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine?
The InChIKey is YALLICHSEZDYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-19(2)9-10-20(3)16(12-17)14-6-7-15-13(11-14)5-4-8-18-15/h4-8,11,16H,9-10,12,17H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine?
N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine is sourced from PubChem (CID 63969950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).