7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine

C15H20N2O — CID 106537442

IUPAC7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC(C)C(C)C)c2c1
InChIInChI=1S/C15H20N2O/c1-10(2)11(3)17-15-14-9-13(18-4)6-5-12(14)7-8-16-15/h5-11H,1-4H3,(H,16,17)
InChIKeyCVXKCDKTVBRHLZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.70
Rot. Bonds4

About 7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine

7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine (PubChem CID 106537442) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
PubChem CID106537442
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC(C)C(C)C)c2c1
InChIInChI=1S/C15H20N2O/c1-10(2)11(3)17-15-14-9-13(18-4)6-5-12(14)7-8-16-15/h5-11H,1-4H3,(H,16,17)
InChIKeyCVXKCDKTVBRHLZ-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
CID 106537555
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
N-(5-chloropentan-2-yl)-7-methoxyisoquinolin-1-amine
CID 106542820
4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106543464
2-N-(7-methoxyisoquinolin-1-yl)-4-methylpentane-1,2-diamine
CID 106540646
N-(4-chloro-3-methylbutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543101
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
N-(3-chloro-2-methylpropyl)-7-methoxyisoquinolin-1-amine
CID 106542770
6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine
CID 106538043
2-[(7-methoxyisoquinolin-1-yl)amino]butanedioic acid
CID 103756130
7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine
CID 106538064
N-butan-2-yl-6-methoxyisoquinolin-1-amine
CID 106537166

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine (CID 106537442) is 7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine is COc1ccc2ccnc(NC(C)C(C)C)c2c1.
What is the InChIKey of 7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine?
The InChIKey is CVXKCDKTVBRHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)11(3)17-15-14-9-13(18-4)6-5-12(14)7-8-16-15/h5-11H,1-4H3,(H,16,17).
What are the key properties of 7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine?
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine has a molecular weight of 244.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine is sourced from PubChem (CID 106537442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).