isoquinolin-8-ylmethanamine;dihydrochloride

C10H12Cl2N2 — CID 42614394

IUPACisoquinolin-8-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc2ccncc12
InChIInChI=1S/C10H10N2.2ClH/c11-6-9-3-1-2-8-4-5-12-7-10(8)9;;/h1-5,7H,6,11H2;2*1H
InChIKeyGQPDNUJLVOFHSX-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.54
Rot. Bonds1

About isoquinolin-8-ylmethanamine;dihydrochloride

isoquinolin-8-ylmethanamine;dihydrochloride (PubChem CID 42614394) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is isoquinolin-8-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Nameisoquinolin-8-ylmethanamine;dihydrochloride
PubChem CID42614394
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Nameisoquinolin-8-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cccc2ccncc12
InChIInChI=1S/C10H10N2.2ClH/c11-6-9-3-1-2-8-4-5-12-7-10(8)9;;/h1-5,7H,6,11H2;2*1H
InChIKeyGQPDNUJLVOFHSX-UHFFFAOYSA-N
XLogP2.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-isoquinolin-8-ylbutan-1-amine
CID 82577641
isoquinolin-8-ol
CID 135441711
(6-fluoroisoquinolin-8-yl)methanamine
CID 125449937
isoquinolin-8-ylmethanesulfonyl chloride
CID 84702854
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
4-isoquinolin-8-ylbutan-2-one
CID 103144158
[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 66524168
[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone
CID 103132930
S-isoquinolin-8-ylthiohydroxylamine
CID 145138115
2,9-phenanthroline
CID 23271029
1-isoquinolin-8-ylpentan-3-one
CID 103144159
2-isoquinolin-5-ylacetamide
CID 68785768

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-ylmethanamine;dihydrochloride?
The IUPAC name of isoquinolin-8-ylmethanamine;dihydrochloride (CID 42614394) is isoquinolin-8-ylmethanamine;dihydrochloride.
What is the SMILES notation for isoquinolin-8-ylmethanamine;dihydrochloride?
The canonical SMILES for isoquinolin-8-ylmethanamine;dihydrochloride is Cl.Cl.NCc1cccc2ccncc12.
What is the InChIKey of isoquinolin-8-ylmethanamine;dihydrochloride?
The InChIKey is GQPDNUJLVOFHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.2ClH/c11-6-9-3-1-2-8-4-5-12-7-10(8)9;;/h1-5,7H,6,11H2;2*1H.
What are the key properties of isoquinolin-8-ylmethanamine;dihydrochloride?
isoquinolin-8-ylmethanamine;dihydrochloride has a molecular weight of 231.13 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-ylmethanamine;dihydrochloride is sourced from PubChem (CID 42614394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).