2-N-butyl-2-N-ethylquinoline-2,6-diamine

C15H21N3 — CID 43383017

IUPAC2-N-butyl-2-N-ethylquinoline-2,6-diamine
SMILESCCCCN(CC)c1ccc2cc(N)ccc2n1
InChIInChI=1S/C15H21N3/c1-3-5-10-18(4-2)15-9-6-12-11-13(16)7-8-14(12)17-15/h6-9,11H,3-5,10,16H2,1-2H3
InChIKeyISIRLBGNRZZLFM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.44
Rot. Bonds5

About 2-N-butyl-2-N-ethylquinoline-2,6-diamine

2-N-butyl-2-N-ethylquinoline-2,6-diamine (PubChem CID 43383017) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-N-butyl-2-N-ethylquinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-ethylquinoline-2,6-diamine
PubChem CID43383017
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-N-butyl-2-N-ethylquinoline-2,6-diamine
SMILESCCCCN(CC)c1ccc2cc(N)ccc2n1
InChIInChI=1S/C15H21N3/c1-3-5-10-18(4-2)15-9-6-12-11-13(16)7-8-14(12)17-15/h6-9,11H,3-5,10,16H2,1-2H3
InChIKeyISIRLBGNRZZLFM-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 54988234
2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile
CID 43383019
N,N-dibutylquinolin-2-amine
CID 125488581
2-pentoxyquinolin-6-amine
CID 43451126
2-N,2-N-dioctadecylanthracene-2,6-diamine
CID 139601167
N'-ethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 114900667
2-propylquinolin-6-amine
CID 130537701
2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide
CID 43451019
2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
CID 43613779
N-butyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80918365
4-[4-(dibutylamino)phenyl]aniline
CID 174369648
4-[(6-aminoquinolin-2-yl)-methylamino]benzonitrile
CID 62981426

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-ethylquinoline-2,6-diamine?
The IUPAC name of 2-N-butyl-2-N-ethylquinoline-2,6-diamine (CID 43383017) is 2-N-butyl-2-N-ethylquinoline-2,6-diamine.
What is the SMILES notation for 2-N-butyl-2-N-ethylquinoline-2,6-diamine?
The canonical SMILES for 2-N-butyl-2-N-ethylquinoline-2,6-diamine is CCCCN(CC)c1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-N-butyl-2-N-ethylquinoline-2,6-diamine?
The InChIKey is ISIRLBGNRZZLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-5-10-18(4-2)15-9-6-12-11-13(16)7-8-14(12)17-15/h6-9,11H,3-5,10,16H2,1-2H3.
What are the key properties of 2-N-butyl-2-N-ethylquinoline-2,6-diamine?
2-N-butyl-2-N-ethylquinoline-2,6-diamine has a molecular weight of 243.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-ethylquinoline-2,6-diamine is sourced from PubChem (CID 43383017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).