N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine

C15H21N3 — CID 63968287

IUPACN,N-diethyl-1-quinolin-6-ylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccc2ncccc2c1
InChIInChI=1S/C15H21N3/c1-3-18(4-2)15(11-16)13-7-8-14-12(10-13)6-5-9-17-14/h5-10,15H,3-4,11,16H2,1-2H3
InChIKeyXERFBNDBDDZVAO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.58
Rot. Bonds5

About N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine

N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine (PubChem CID 63968287) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-1-quinolin-6-ylethane-1,2-diamine
PubChem CID63968287
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN,N-diethyl-1-quinolin-6-ylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccc2ncccc2c1
InChIInChI=1S/C15H21N3/c1-3-18(4-2)15(11-16)13-7-8-14-12(10-13)6-5-9-17-14/h5-10,15H,3-4,11,16H2,1-2H3
InChIKeyXERFBNDBDDZVAO-UHFFFAOYSA-N
XLogP2.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine
CID 63969950
N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967659
N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine
CID 81058699
N-methyl-N-(1-methylsulfanylbutan-2-yl)-1-quinolin-6-ylethane-1,2-diamine
CID 115985680
2-quinolin-6-ylpropan-1-amine
CID 79002101
2-(diethylamino)-2-quinolin-6-ylacetonitrile
CID 63970802
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
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine?
The IUPAC name of N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine (CID 63968287) is N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine is CCN(CC)C(CN)c1ccc2ncccc2c1.
What is the InChIKey of N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine?
The InChIKey is XERFBNDBDDZVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-18(4-2)15(11-16)13-7-8-14-12(10-13)6-5-9-17-14/h5-10,15H,3-4,11,16H2,1-2H3.
What are the key properties of N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine?
N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine has a molecular weight of 243.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine is sourced from PubChem (CID 63968287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).