2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine

C19H25N5O — CID 70352232

IUPAC2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine
SMILESCCCCc1cc2ccccc2c(OCCN(C)Cc2cn[nH]n2)n1
InChIInChI=1S/C19H25N5O/c1-3-4-8-16-12-15-7-5-6-9-18(15)19(21-16)25-11-10-24(2)14-17-13-20-23-22-17/h5-7,9,12-13H,3-4,8,10-11,14H2,1-2H3,(H,20,22,23)
InChIKeyFPBVMRPLBKYLDW-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.21
Rot. Bonds9

About 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine

2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine (PubChem CID 70352232) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine
PubChem CID70352232
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine
SMILESCCCCc1cc2ccccc2c(OCCN(C)Cc2cn[nH]n2)n1
InChIInChI=1S/C19H25N5O/c1-3-4-8-16-12-15-7-5-6-9-18(15)19(21-16)25-11-10-24(2)14-17-13-20-23-22-17/h5-7,9,12-13H,3-4,8,10-11,14H2,1-2H3,(H,20,22,23)
InChIKeyFPBVMRPLBKYLDW-UHFFFAOYSA-N
XLogP3.21
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(3-butylisoquinolin-1-yl)oxy-N-methylethanamine
CID 70000985
N-[2-(3-butylisoquinolin-1-yl)oxyethyl]-N-methylpentan-1-amine
CID 91467584
2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 68572006
2-[[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]methyl]-6-cyclopropylbenzene-1,4-diamine
CID 89147662
2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide
CID 23199760
CID 68614300
CID 68614300
[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol
CID 61254873
2-methyl-N-[(1-propoxyisoquinolin-3-yl)methyl]propan-1-amine
CID 62290073
3-[3-(hydroxymethyl)isoquinolin-1-yl]oxypropan-1-ol
CID 61255721
[1-(3-methoxypropoxy)isoquinolin-3-yl]methanol
CID 61258186
N-[[1-(3-methylbut-3-enoxy)isoquinolin-3-yl]methyl]propan-1-amine
CID 114470589
N-[[1-(3-methoxypropoxy)isoquinolin-3-yl]methyl]propan-1-amine
CID 62288617

Frequently Asked Questions

What is the IUPAC name of 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine (CID 70352232) is 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine is CCCCc1cc2ccccc2c(OCCN(C)Cc2cn[nH]n2)n1.
What is the InChIKey of 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine?
The InChIKey is FPBVMRPLBKYLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-4-8-16-12-15-7-5-6-9-18(15)19(21-16)25-11-10-24(2)14-17-13-20-23-22-17/h5-7,9,12-13H,3-4,8,10-11,14H2,1-2H3,(H,20,22,23).
What are the key properties of 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine?
2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine has a molecular weight of 339.44 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butylisoquinolin-1-yl)oxy-N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 70352232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).