7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine

C16H22N2O — CID 106329434

IUPAC7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
SMILESCCC(C)(CC)Nc1nccc2ccc(OC)cc12
InChIInChI=1S/C16H22N2O/c1-5-16(3,6-2)18-15-14-11-13(19-4)8-7-12(14)9-10-17-15/h7-11H,5-6H2,1-4H3,(H,17,18)
InChIKeyXCHXAYQHYHQXSX-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.23
Rot. Bonds5

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

7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine (PubChem CID 106329434) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
PubChem CID106329434
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
SMILESCCC(C)(CC)Nc1nccc2ccc(OC)cc12
InChIInChI=1S/C16H22N2O/c1-5-16(3,6-2)18-15-14-11-13(19-4)8-7-12(14)9-10-17-15/h7-11H,5-6H2,1-4H3,(H,17,18)
InChIKeyXCHXAYQHYHQXSX-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol
CID 106171338
2-[(7-methoxyisoquinolin-1-yl)amino]-2-methylpentanoic acid
CID 106535969
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-2-methylbutanoic acid
CID 106536428
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543374
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
2-ethyl-2-[(6-methoxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 107866247
7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
CID 106539056
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine (CID 106329434) is 7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine is CCC(C)(CC)Nc1nccc2ccc(OC)cc12.
What is the InChIKey of 7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine?
The InChIKey is XCHXAYQHYHQXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-16(3,6-2)18-15-14-11-13(19-4)8-7-12(14)9-10-17-15/h7-11H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine?
7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine has a molecular weight of 258.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine is sourced from PubChem (CID 106329434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).