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

C18H24N2O — CID 106539056

IUPAC7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC3C(C)(C)C3(C)C)c2c1
InChIInChI=1S/C18H24N2O/c1-17(2)15(18(17,3)4)11-20-16-14-10-13(21-5)7-6-12(14)8-9-19-16/h6-10,15H,11H2,1-5H3,(H,19,20)
InChIKeyYZLOOBKYGBASRX-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.34
Rot. Bonds4

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

7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine (PubChem CID 106539056) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
PubChem CID106539056
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC3C(C)(C)C3(C)C)c2c1
InChIInChI=1S/C18H24N2O/c1-17(2)15(18(17,3)4)11-20-16-14-10-13(21-5)7-6-12(14)8-9-19-16/h6-10,15H,11H2,1-5H3,(H,19,20)
InChIKeyYZLOOBKYGBASRX-UHFFFAOYSA-N
XLogP4.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
CID 106539062
7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
CID 106538593
[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538974
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
N-[3-(2-chloroethoxy)propyl]-7-methoxyisoquinolin-1-amine
CID 106306394

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine (CID 106539056) is 7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine is COc1ccc2ccnc(NCC3C(C)(C)C3(C)C)c2c1.
What is the InChIKey of 7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine?
The InChIKey is YZLOOBKYGBASRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-17(2)15(18(17,3)4)11-20-16-14-10-13(21-5)7-6-12(14)8-9-19-16/h6-10,15H,11H2,1-5H3,(H,19,20).
What are the key properties of 7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine?
7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.34, 4 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)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106539056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).