ethane;7-ethylisoquinolin-1-amine

C13H18N2 — CID 143545828

IUPACethane;7-ethylisoquinolin-1-amine
SMILESCC.CCc1ccc2ccnc(N)c2c1
InChIInChI=1S/C11H12N2.C2H6/c1-2-8-3-4-9-5-6-13-11(12)10(9)7-8;1-2/h3-7H,2H2,1H3,(H2,12,13);1-2H3
InChIKeyCJYSAQVRFOBGMJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.41
Rot. Bonds1

About ethane;7-ethylisoquinolin-1-amine

ethane;7-ethylisoquinolin-1-amine (PubChem CID 143545828) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;7-ethylisoquinolin-1-amine.

Molecular Properties

Compound Nameethane;7-ethylisoquinolin-1-amine
PubChem CID143545828
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Nameethane;7-ethylisoquinolin-1-amine
SMILESCC.CCc1ccc2ccnc(N)c2c1
InChIInChI=1S/C11H12N2.C2H6/c1-2-8-3-4-9-5-6-13-11(12)10(9)7-8;1-2/h3-7H,2H2,1H3,(H2,12,13);1-2H3
InChIKeyCJYSAQVRFOBGMJ-UHFFFAOYSA-N
XLogP3.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methylisoquinolin-1-amine;propane
CID 142933220
7-methylisoquinolin-1-amine
CID 18727905
ethane;4-ethylpyridin-2-amine
CID 144736585
6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane
CID 161069047
1-aminoisoquinoline-7-carbonitrile;pentane
CID 178040061
6-(methylaminomethyl)isoquinolin-1-amine
CID 139340899
ethane;5-ethyl-1,2-benzoxazol-3-amine
CID 143324107
ethane;7-piperidin-4-ylisoquinolin-1-amine
CID 91457940
ethane;6-ethylisoquinoline-1-carboxylic acid
CID 170613134
6-ethoxyisoquinolin-1-amine
CID 82062973
ethane;4-ethyl-2-methylpyridine
CID 91358383
6-chloro-7-methylisoquinolin-1-amine
CID 21300587

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethylisoquinolin-1-amine?
The IUPAC name of ethane;7-ethylisoquinolin-1-amine (CID 143545828) is ethane;7-ethylisoquinolin-1-amine.
What is the SMILES notation for ethane;7-ethylisoquinolin-1-amine?
The canonical SMILES for ethane;7-ethylisoquinolin-1-amine is CC.CCc1ccc2ccnc(N)c2c1.
What is the InChIKey of ethane;7-ethylisoquinolin-1-amine?
The InChIKey is CJYSAQVRFOBGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C2H6/c1-2-8-3-4-9-5-6-13-11(12)10(9)7-8;1-2/h3-7H,2H2,1H3,(H2,12,13);1-2H3.
What are the key properties of ethane;7-ethylisoquinolin-1-amine?
ethane;7-ethylisoquinolin-1-amine has a molecular weight of 202.30 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethylisoquinolin-1-amine is sourced from PubChem (CID 143545828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).