2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine

C16H20N2 — CID 115748530

IUPAC2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine
SMILESc1ccc2c(CNCCC3CCC3)cncc2c1
InChIInChI=1S/C16H20N2/c1-2-7-16-14(6-1)10-18-12-15(16)11-17-9-8-13-4-3-5-13/h1-2,6-7,10,12-13,17H,3-5,8-9,11H2
InChIKeySVURDAZFXXGEOW-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.51
Rot. Bonds5

About 2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine

2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine (PubChem CID 115748530) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine
PubChem CID115748530
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine
SMILESc1ccc2c(CNCCC3CCC3)cncc2c1
InChIInChI=1S/C16H20N2/c1-2-7-16-14(6-1)10-18-12-15(16)11-17-9-8-13-4-3-5-13/h1-2,6-7,10,12-13,17H,3-5,8-9,11H2
InChIKeySVURDAZFXXGEOW-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(isoquinolin-4-ylmethyl)-2-(oxan-2-yl)ethanamine
CID 103992913
3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 103823537
3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
N-(isoquinolin-4-ylmethyl)-1-(oxan-4-yl)methanamine
CID 112702944
3-(isoquinolin-4-ylmethylamino)propanoic acid
CID 104503840
N-(naphthalen-1-ylmethyl)-2-piperidin-4-ylethanamine
CID 115211649
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
3-butoxy-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748161
N-(isoquinolin-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 115748229
2-(4-chlorophenyl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748173
N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
CID 115748477

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine (CID 115748530) is 2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine is c1ccc2c(CNCCC3CCC3)cncc2c1.
What is the InChIKey of 2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine?
The InChIKey is SVURDAZFXXGEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-7-16-14(6-1)10-18-12-15(16)11-17-9-8-13-4-3-5-13/h1-2,6-7,10,12-13,17H,3-5,8-9,11H2.
What are the key properties of 2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine?
2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine is sourced from PubChem (CID 115748530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).