isoquinolin-6-ylmethanamine;hydrochloride

C10H11ClN2 — CID 91659066

IUPACisoquinolin-6-ylmethanamine;hydrochloride
SMILESCl.NCc1ccc2cnccc2c1
InChIInChI=1S/C10H10N2.ClH/c11-6-8-1-2-10-7-12-4-3-9(10)5-8;/h1-5,7H,6,11H2;1H
InChIKeyANIZKTKEALCVPU-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.12
Rot. Bonds1

About isoquinolin-6-ylmethanamine;hydrochloride

isoquinolin-6-ylmethanamine;hydrochloride (PubChem CID 91659066) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is isoquinolin-6-ylmethanamine;hydrochloride.

Molecular Properties

Compound Nameisoquinolin-6-ylmethanamine;hydrochloride
PubChem CID91659066
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Nameisoquinolin-6-ylmethanamine;hydrochloride
SMILESCl.NCc1ccc2cnccc2c1
InChIInChI=1S/C10H10N2.ClH/c11-6-8-1-2-10-7-12-4-3-9(10)5-8;/h1-5,7H,6,11H2;1H
InChIKeyANIZKTKEALCVPU-UHFFFAOYSA-N
XLogP2.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isoquinoline
CID 8405
4-Phenylpyridine
CID 13651
4-Methylquinoline
CID 10285
5-Aminoisoquinoline
CID 70766
Lauryl Isoquinolinium Bromide
CID 7132
8-Methylquinoline
CID 11910
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
3-Methylisoquinoline
CID 14306
Benzo(h)quinoline
CID 9191
1-Isoquinolinamine
CID 73742

Frequently Asked Questions

What is the IUPAC name of isoquinolin-6-ylmethanamine;hydrochloride?
The IUPAC name of isoquinolin-6-ylmethanamine;hydrochloride (CID 91659066) is isoquinolin-6-ylmethanamine;hydrochloride.
What is the SMILES notation for isoquinolin-6-ylmethanamine;hydrochloride?
The canonical SMILES for isoquinolin-6-ylmethanamine;hydrochloride is Cl.NCc1ccc2cnccc2c1.
What is the InChIKey of isoquinolin-6-ylmethanamine;hydrochloride?
The InChIKey is ANIZKTKEALCVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.ClH/c11-6-8-1-2-10-7-12-4-3-9(10)5-8;/h1-5,7H,6,11H2;1H.
What are the key properties of isoquinolin-6-ylmethanamine;hydrochloride?
isoquinolin-6-ylmethanamine;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-6-ylmethanamine;hydrochloride is sourced from PubChem (CID 91659066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).