6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine

C16H22N2O — CID 106538043

IUPAC6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine
SMILESCCC(Nc1nccc2cc(OC)ccc12)C(C)C
InChIInChI=1S/C16H22N2O/c1-5-15(11(2)3)18-16-14-7-6-13(19-4)10-12(14)8-9-17-16/h6-11,15H,5H2,1-4H3,(H,17,18)
InChIKeyVVTFAACZSAVHRO-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.09
Rot. Bonds5

About 6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine

6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine (PubChem CID 106538043) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine
PubChem CID106538043
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine
SMILESCCC(Nc1nccc2cc(OC)ccc12)C(C)C
InChIInChI=1S/C16H22N2O/c1-5-15(11(2)3)18-16-14-7-6-13(19-4)10-12(14)8-9-17-16/h6-11,15H,5H2,1-4H3,(H,17,18)
InChIKeyVVTFAACZSAVHRO-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-6-methoxyisoquinolin-1-amine
CID 106537166
6-methoxy-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106537504
2-N-(6-methoxyisoquinolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 106539278
N-(4-bromopentan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543031
N-(4-chloro-3-methylbutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543101
N-(4-chlorobutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543022
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
3-[(6-methoxyisoquinolin-1-yl)amino]pentanoic acid
CID 106536432
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
N-(1-chloro-4-methylpentan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106542718
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
1-N-(6-methoxyisoquinolin-1-yl)-3-methylbutane-1,2-diamine
CID 106540710

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine?
The IUPAC name of 6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine (CID 106538043) is 6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine?
The canonical SMILES for 6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine is CCC(Nc1nccc2cc(OC)ccc12)C(C)C.
What is the InChIKey of 6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine?
The InChIKey is VVTFAACZSAVHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-15(11(2)3)18-16-14-7-6-13(19-4)10-12(14)8-9-17-16/h6-11,15H,5H2,1-4H3,(H,17,18).
What are the key properties of 6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine?
6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine has a molecular weight of 258.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine is sourced from PubChem (CID 106538043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).