6-(methylaminomethyl)isoquinolin-1-amine

C11H13N3 — CID 139340899

IUPAC6-(methylaminomethyl)isoquinolin-1-amine
SMILESCNCc1ccc2c(N)nccc2c1
InChIInChI=1S/C11H13N3/c1-13-7-8-2-3-10-9(6-8)4-5-14-11(10)12/h2-6,13H,7H2,1H3,(H2,12,14)
InChIKeyIRKGGELYKZDNFG-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.54
Rot. Bonds2

About 6-(methylaminomethyl)isoquinolin-1-amine

6-(methylaminomethyl)isoquinolin-1-amine (PubChem CID 139340899) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 6-(methylaminomethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-(methylaminomethyl)isoquinolin-1-amine
PubChem CID139340899
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name6-(methylaminomethyl)isoquinolin-1-amine
SMILESCNCc1ccc2c(N)nccc2c1
InChIInChI=1S/C11H13N3/c1-13-7-8-2-3-10-9(6-8)4-5-14-11(10)12/h2-6,13H,7H2,1H3,(H2,12,14)
InChIKeyIRKGGELYKZDNFG-UHFFFAOYSA-N
XLogP1.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(benzylamino)methyl]isoquinolin-1-amine
CID 53322817
methyl 2-[(1-aminoisoquinolin-6-yl)methylamino]-N-ethyl-2-oxoethanimidate
CID 139341030
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 165154235
6-ethoxyisoquinolin-1-amine
CID 82062973
ethane;7-ethylisoquinolin-1-amine
CID 143545828
N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3-methylisoquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213018
N-[(1-aminoisoquinolin-6-yl)methyl]-6-benzyl-5-chloropyridine-3-carboxamide
CID 167585958
[4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate
CID 151804979
6-ethyl-5H-cyclopenta[c]pyridin-1-amine;6-ethylisoquinolin-1-amine;methane
CID 161069047
N-[(1-aminoisoquinolin-6-yl)methyl]-3,5-dimethyl-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 135120929
6-[[4-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-2-carboxamide
CID 118665212
5-N-[(1-aminoisoquinolin-6-yl)methyl]-2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyrazine-2,5-diamine
CID 166028313

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)isoquinolin-1-amine?
The IUPAC name of 6-(methylaminomethyl)isoquinolin-1-amine (CID 139340899) is 6-(methylaminomethyl)isoquinolin-1-amine.
What is the SMILES notation for 6-(methylaminomethyl)isoquinolin-1-amine?
The canonical SMILES for 6-(methylaminomethyl)isoquinolin-1-amine is CNCc1ccc2c(N)nccc2c1.
What is the InChIKey of 6-(methylaminomethyl)isoquinolin-1-amine?
The InChIKey is IRKGGELYKZDNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-13-7-8-2-3-10-9(6-8)4-5-14-11(10)12/h2-6,13H,7H2,1H3,(H2,12,14).
What are the key properties of 6-(methylaminomethyl)isoquinolin-1-amine?
6-(methylaminomethyl)isoquinolin-1-amine has a molecular weight of 187.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)isoquinolin-1-amine is sourced from PubChem (CID 139340899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).