7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine

C17H22N2O — CID 106539062

IUPAC7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3C(C)(C)C3(C)C)c2c1
InChIInChI=1S/C17H22N2O/c1-16(2)15(17(16,3)4)19-14-13-10-12(20-5)7-6-11(13)8-9-18-14/h6-10,15H,1-5H3,(H,18,19)
InChIKeyMMZUWTLEELXTRL-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.09
Rot. Bonds3

About 7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine

7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine (PubChem CID 106539062) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
PubChem CID106539062
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3C(C)(C)C3(C)C)c2c1
InChIInChI=1S/C17H22N2O/c1-16(2)15(17(16,3)4)19-14-13-10-12(20-5)7-6-11(13)8-9-18-14/h6-10,15H,1-5H3,(H,18,19)
InChIKeyMMZUWTLEELXTRL-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
CID 106539056
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine
CID 106539264
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
CID 106538593
N-(2-chlorocycloheptyl)-7-methoxyisoquinolin-1-amine
CID 106543045
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine
CID 106538857
N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine
CID 106540782
7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
CID 106329434

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine (CID 106539062) is 7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine is COc1ccc2ccnc(NC3C(C)(C)C3(C)C)c2c1.
What is the InChIKey of 7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine?
The InChIKey is MMZUWTLEELXTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-16(2)15(17(16,3)4)19-14-13-10-12(20-5)7-6-11(13)8-9-18-14/h6-10,15H,1-5H3,(H,18,19).
What are the key properties of 7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine?
7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine has a molecular weight of 270.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine is sourced from PubChem (CID 106539062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).