8-ethylisoquinolin-5-amine

C11H12N2 — CID 58807103

IUPAC8-ethylisoquinolin-5-amine
SMILESCCc1ccc(N)c2ccncc12
InChIInChI=1S/C11H12N2/c1-2-8-3-4-11(12)9-5-6-13-7-10(8)9/h3-7H,2,12H2,1H3
InChIKeyPASKBWUZZGAPFN-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.38
Rot. Bonds1

About 8-ethylisoquinolin-5-amine

8-ethylisoquinolin-5-amine (PubChem CID 58807103) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 8-ethylisoquinolin-5-amine.

Molecular Properties

Compound Name8-ethylisoquinolin-5-amine
PubChem CID58807103
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name8-ethylisoquinolin-5-amine
SMILESCCc1ccc(N)c2ccncc12
InChIInChI=1S/C11H12N2/c1-2-8-3-4-11(12)9-5-6-13-7-10(8)9/h3-7H,2,12H2,1H3
InChIKeyPASKBWUZZGAPFN-UHFFFAOYSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

isoquinoline-5,8-diamine;hydrochloride
CID 75525603
8-ethoxyisoquinolin-5-amine
CID 103139590
8-N-[(3-ethyl-2-pyridinyl)methyl]isoquinoline-5,8-diamine
CID 103138899
8-propoxyisoquinolin-5-amine
CID 103139869
8-chloroisoquinolin-5-amine
CID 53421157
8-N-(4-ethylphenyl)isoquinoline-5,8-diamine
CID 103137089
5-N-(4-ethylphenyl)isoquinoline-5,8-diamine
CID 43448787
1-[(5-aminoisoquinolin-8-yl)amino]butan-2-ol
CID 103139218
2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide
CID 103137754
5-N-butylisoquinoline-5,8-diamine
CID 43448702
8-(3-methylbutylsulfanyl)isoquinolin-5-amine
CID 107748090
8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118

Frequently Asked Questions

What is the IUPAC name of 8-ethylisoquinolin-5-amine?
The IUPAC name of 8-ethylisoquinolin-5-amine (CID 58807103) is 8-ethylisoquinolin-5-amine.
What is the SMILES notation for 8-ethylisoquinolin-5-amine?
The canonical SMILES for 8-ethylisoquinolin-5-amine is CCc1ccc(N)c2ccncc12.
What is the InChIKey of 8-ethylisoquinolin-5-amine?
The InChIKey is PASKBWUZZGAPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-8-3-4-11(12)9-5-6-13-7-10(8)9/h3-7H,2,12H2,1H3.
What are the key properties of 8-ethylisoquinolin-5-amine?
8-ethylisoquinolin-5-amine has a molecular weight of 172.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylisoquinolin-5-amine is sourced from PubChem (CID 58807103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).