N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine

C16H22N2O — CID 106538802

IUPACN-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC(C)C(C)C)c2c1
InChIInChI=1S/C16H22N2O/c1-11(2)12(3)10-18-16-15-9-14(19-4)6-5-13(15)7-8-17-16/h5-9,11-12H,10H2,1-4H3,(H,17,18)
InChIKeyXOZLNNAAIAWWHM-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.95
Rot. Bonds5

About N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine

N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine (PubChem CID 106538802) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
PubChem CID106538802
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC(C)C(C)C)c2c1
InChIInChI=1S/C16H22N2O/c1-11(2)12(3)10-18-16-15-9-14(19-4)6-5-13(15)7-8-17-16/h5-9,11-12H,10H2,1-4H3,(H,17,18)
InChIKeyXOZLNNAAIAWWHM-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylpropyl)-7-methoxyisoquinolin-1-amine
CID 106542770
7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539651
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-3-methylbutanoic acid
CID 106536242
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
CID 106287689
N-(2-chloro-4,4-dimethylpentyl)-7-methoxyisoquinolin-1-amine
CID 107156112
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol
CID 106541080
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661
1-N-(6-methoxyisoquinolin-1-yl)-3-methylbutane-1,2-diamine
CID 106540710
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine (CID 106538802) is N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine is COc1ccc2ccnc(NCC(C)C(C)C)c2c1.
What is the InChIKey of N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine?
The InChIKey is XOZLNNAAIAWWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)12(3)10-18-16-15-9-14(19-4)6-5-13(15)7-8-17-16/h5-9,11-12H,10H2,1-4H3,(H,17,18).
What are the key properties of N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine?
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106538802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).