6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane

C22H28N4 — CID 161069047

IUPAC6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane
SMILESC.CCC1=Cc2c(ccnc2N)C1.CCc1ccc2c(N)nccc2c1
InChIInChI=1S/C11H12N2.C10H12N2.CH4/c1-2-8-3-4-10-9(7-8)5-6-13-11(10)12;1-2-7-5-8-3-4-12-10(11)9(8)6-7;/h3-7H,2H2,1H3,(H2,12,13);3-4,6H,2,5H2,1H3,(H2,11,12);1H4
InChIKeyUEKJPJKCDGJNHK-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.03
Rot. Bonds2

About 6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane

6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane (PubChem CID 161069047) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane.

Molecular Properties

Compound Name6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane
PubChem CID161069047
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane
SMILESC.CCC1=Cc2c(ccnc2N)C1.CCc1ccc2c(N)nccc2c1
InChIInChI=1S/C11H12N2.C10H12N2.CH4/c1-2-8-3-4-10-9(7-8)5-6-13-11(10)12;1-2-7-5-8-3-4-12-10(11)9(8)6-7;/h3-7H,2H2,1H3,(H2,12,13);3-4,6H,2,5H2,1H3,(H2,11,12);1H4
InChIKeyUEKJPJKCDGJNHK-UHFFFAOYSA-N
XLogP5.03
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;7-ethylisoquinolin-1-amine
CID 143545828
6-(methylaminomethyl)isoquinolin-1-amine
CID 139340899
6-ethoxyisoquinolin-1-amine
CID 82062973
6-[(benzylamino)methyl]isoquinolin-1-amine
CID 53322817
6-ethylisoquinoline-1-carboxylic acid
CID 70845015
ethane;6-ethylisoquinoline-1-carboxylic acid
CID 170613134
6-tert-butylisoquinolin-1-amine;(3-tert-butylphenyl)methanamine;(4-tert-butylphenyl)methanamine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 158921436
6-ethyl-1-piperazin-1-ylisoquinoline
CID 82276441
6-ethylcinnoline
CID 70647783
[4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate
CID 151804979
methyl 2-[(1-aminoisoquinolin-6-yl)methylamino]-N-ethyl-2-oxoethanimidate
CID 139341030
7-methylisoquinolin-1-amine;propane
CID 142933220

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane?
The IUPAC name of 6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane (CID 161069047) is 6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane.
What is the SMILES notation for 6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane?
The canonical SMILES for 6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane is C.CCC1=Cc2c(ccnc2N)C1.CCc1ccc2c(N)nccc2c1.
What is the InChIKey of 6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane?
The InChIKey is UEKJPJKCDGJNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C10H12N2.CH4/c1-2-8-3-4-10-9(7-8)5-6-13-11(10)12;1-2-7-5-8-3-4-12-10(11)9(8)6-7;/h3-7H,2H2,1H3,(H2,12,13);3-4,6H,2,5H2,1H3,(H2,11,12);1H4.
What are the key properties of 6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane?
6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane has a molecular weight of 348.49 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane is sourced from PubChem (CID 161069047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).