(1-methylisoquinolin-4-yl)methanamine

C11H12N2 — CID 105435219

IUPAC(1-methylisoquinolin-4-yl)methanamine
SMILESCc1ncc(CN)c2ccccc12
InChIInChI=1S/C11H12N2/c1-8-10-4-2-3-5-11(10)9(6-12)7-13-8/h2-5,7H,6,12H2,1H3
InChIKeyJFAIXPXIXVZWOC-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.00
Rot. Bonds1

About (1-methylisoquinolin-4-yl)methanamine

(1-methylisoquinolin-4-yl)methanamine (PubChem CID 105435219) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1-methylisoquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(1-methylisoquinolin-4-yl)methanamine
PubChem CID105435219
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(1-methylisoquinolin-4-yl)methanamine
SMILESCc1ncc(CN)c2ccccc12
InChIInChI=1S/C11H12N2/c1-8-10-4-2-3-5-11(10)9(6-12)7-13-8/h2-5,7H,6,12H2,1H3
InChIKeyJFAIXPXIXVZWOC-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4,5-dimethylimidazol-1-yl)isoquinolin-4-yl]methanamine
CID 106777160
N-methyl-1-(1-methylisoquinolin-4-yl)methanamine
CID 154939630
[1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-4-yl]methanamine
CID 106777098
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
CID 106775528
[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine
CID 106777391
[1-(2-fluoro-3-methylphenoxy)isoquinolin-4-yl]methanamine
CID 107660852
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine
CID 106777282
4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 106775794
[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777326
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106776207
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
3-(aminomethyl)-N-ethylquinolin-4-amine
CID 62105650

Frequently Asked Questions

What is the IUPAC name of (1-methylisoquinolin-4-yl)methanamine?
The IUPAC name of (1-methylisoquinolin-4-yl)methanamine (CID 105435219) is (1-methylisoquinolin-4-yl)methanamine.
What is the SMILES notation for (1-methylisoquinolin-4-yl)methanamine?
The canonical SMILES for (1-methylisoquinolin-4-yl)methanamine is Cc1ncc(CN)c2ccccc12.
What is the InChIKey of (1-methylisoquinolin-4-yl)methanamine?
The InChIKey is JFAIXPXIXVZWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-10-4-2-3-5-11(10)9(6-12)7-13-8/h2-5,7H,6,12H2,1H3.
What are the key properties of (1-methylisoquinolin-4-yl)methanamine?
(1-methylisoquinolin-4-yl)methanamine has a molecular weight of 172.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylisoquinolin-4-yl)methanamine is sourced from PubChem (CID 105435219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).