N-butan-2-yl-6-methoxyisoquinolin-1-amine

C14H18N2O — CID 106537166

IUPACN-butan-2-yl-6-methoxyisoquinolin-1-amine
SMILESCCC(C)Nc1nccc2cc(OC)ccc12
InChIInChI=1S/C14H18N2O/c1-4-10(2)16-14-13-6-5-12(17-3)9-11(13)7-8-15-14/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyJFRCGUVDBIBGOG-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.45
Rot. Bonds4

About N-butan-2-yl-6-methoxyisoquinolin-1-amine

N-butan-2-yl-6-methoxyisoquinolin-1-amine (PubChem CID 106537166) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-butan-2-yl-6-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-methoxyisoquinolin-1-amine
PubChem CID106537166
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-butan-2-yl-6-methoxyisoquinolin-1-amine
SMILESCCC(C)Nc1nccc2cc(OC)ccc12
InChIInChI=1S/C14H18N2O/c1-4-10(2)16-14-13-6-5-12(17-3)9-11(13)7-8-15-14/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyJFRCGUVDBIBGOG-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106537504
6-methoxy-N-(2-methylpentan-3-yl)isoquinolin-1-amine
CID 106538043
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-chlorobutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543022
N-(4-chloro-3-methylbutan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106543101
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
3-[(6-methoxyisoquinolin-1-yl)amino]pentanoic acid
CID 106536432
N-(1-chloro-4-methylpentan-2-yl)-6-methoxyisoquinolin-1-amine
CID 106542718
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
CID 106539773

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-methoxyisoquinolin-1-amine?
The IUPAC name of N-butan-2-yl-6-methoxyisoquinolin-1-amine (CID 106537166) is N-butan-2-yl-6-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-butan-2-yl-6-methoxyisoquinolin-1-amine?
The canonical SMILES for N-butan-2-yl-6-methoxyisoquinolin-1-amine is CCC(C)Nc1nccc2cc(OC)ccc12.
What is the InChIKey of N-butan-2-yl-6-methoxyisoquinolin-1-amine?
The InChIKey is JFRCGUVDBIBGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-10(2)16-14-13-6-5-12(17-3)9-11(13)7-8-15-14/h5-10H,4H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-6-methoxyisoquinolin-1-amine?
N-butan-2-yl-6-methoxyisoquinolin-1-amine has a molecular weight of 230.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106537166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).