6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine

C14H16N2O — CID 106538375

IUPAC6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
SMILESCOc1ccc2c(NC3CC3C)nccc2c1
InChIInChI=1S/C14H16N2O/c1-9-7-13(9)16-14-12-4-3-11(17-2)8-10(12)5-6-15-14/h3-6,8-9,13H,7H2,1-2H3,(H,15,16)
InChIKeyANJRFLSEYQWZIR-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.06
Rot. Bonds3

About 6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine

6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine (PubChem CID 106538375) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
PubChem CID106538375
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
SMILESCOc1ccc2c(NC3CC3C)nccc2c1
InChIInChI=1S/C14H16N2O/c1-9-7-13(9)16-14-12-4-3-11(17-2)8-10(12)5-6-15-14/h3-6,8-9,13H,7H2,1-2H3,(H,15,16)
InChIKeyANJRFLSEYQWZIR-UHFFFAOYSA-N
XLogP3.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106540034
4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one
CID 106191834
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-methoxyisoquinolin-1-amine
CID 106538963
7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine
CID 106539264
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine
CID 106538857
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine (CID 106538375) is 6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine is COc1ccc2c(NC3CC3C)nccc2c1.
What is the InChIKey of 6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine?
The InChIKey is ANJRFLSEYQWZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-7-13(9)16-14-12-4-3-11(17-2)8-10(12)5-6-15-14/h3-6,8-9,13H,7H2,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine?
6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine has a molecular weight of 228.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine is sourced from PubChem (CID 106538375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).