N,2-diethylisoquinolin-3-imine;ethane

C15H22N2 — CID 142838375

IUPACN,2-diethylisoquinolin-3-imine;ethane
SMILESCC.CC/N=c1\cc2ccccc2cn1CC
InChIInChI=1S/C13H16N2.C2H6/c1-3-14-13-9-11-7-5-6-8-12(11)10-15(13)4-2;1-2/h5-10H,3-4H2,1-2H3;1-2H3/b14-13+;
InChIKeyKXIFKQRGLLTDEF-IERUDJENSA-N
MW230.35 g/mol
LogP3.61
Rot. Bonds2

About N,2-diethylisoquinolin-3-imine;ethane

N,2-diethylisoquinolin-3-imine;ethane (PubChem CID 142838375) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N,2-diethylisoquinolin-3-imine;ethane.

Molecular Properties

Compound NameN,2-diethylisoquinolin-3-imine;ethane
PubChem CID142838375
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN,2-diethylisoquinolin-3-imine;ethane
SMILESCC.CC/N=c1\cc2ccccc2cn1CC
InChIInChI=1S/C13H16N2.C2H6/c1-3-14-13-9-11-7-5-6-8-12(11)10-15(13)4-2;1-2/h5-10H,3-4H2,1-2H3;1-2H3/b14-13+;
InChIKeyKXIFKQRGLLTDEF-IERUDJENSA-N
XLogP3.61
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-Dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
CID 17390122
Ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746972
7-Ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746973
7-butyl-4H-pyrido[1,2-a]pyrimidine
CID 20348005
6-Methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 45087578
2,3-Dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 54479691
4-tert-butyl-N,1-dimethylpyridin-2-imine
CID 59485522
2H-pyrimido[1,2-b]isoquinoline
CID 88813953
4H-pyrimido[1,2-b]isoquinoline
CID 88813954
N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
9-ethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 89691873
ethane;6-ethyl-2H-imidazo[1,2-a]pyridin-4-ium;propane
CID 91509327

Frequently Asked Questions

What is the IUPAC name of N,2-diethylisoquinolin-3-imine;ethane?
The IUPAC name of N,2-diethylisoquinolin-3-imine;ethane (CID 142838375) is N,2-diethylisoquinolin-3-imine;ethane.
What is the SMILES notation for N,2-diethylisoquinolin-3-imine;ethane?
The canonical SMILES for N,2-diethylisoquinolin-3-imine;ethane is CC.CC/N=c1\cc2ccccc2cn1CC.
What is the InChIKey of N,2-diethylisoquinolin-3-imine;ethane?
The InChIKey is KXIFKQRGLLTDEF-IERUDJENSA-N. The full InChI is InChI=1S/C13H16N2.C2H6/c1-3-14-13-9-11-7-5-6-8-12(11)10-15(13)4-2;1-2/h5-10H,3-4H2,1-2H3;1-2H3/b14-13+;.
What are the key properties of N,2-diethylisoquinolin-3-imine;ethane?
N,2-diethylisoquinolin-3-imine;ethane has a molecular weight of 230.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethylisoquinolin-3-imine;ethane is sourced from PubChem (CID 142838375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).