N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine

C16H20N2 — CID 81016883

IUPACN-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine
SMILESCCNCC1CCC1c1cncc2ccccc12
InChIInChI=1S/C16H20N2/c1-2-17-9-13-7-8-15(13)16-11-18-10-12-5-3-4-6-14(12)16/h3-6,10-11,13,15,17H,2,7-9H2,1H3
InChIKeyYOBWRGUMQBZYCH-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.34
Rot. Bonds4

About N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine

N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine (PubChem CID 81016883) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine
PubChem CID81016883
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine
SMILESCCNCC1CCC1c1cncc2ccccc12
InChIInChI=1S/C16H20N2/c1-2-17-9-13-7-8-15(13)16-11-18-10-12-5-3-4-6-14(12)16/h3-6,10-11,13,15,17H,2,7-9H2,1H3
InChIKeyYOBWRGUMQBZYCH-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine?
The IUPAC name of N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine (CID 81016883) is N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine?
The canonical SMILES for N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine is CCNCC1CCC1c1cncc2ccccc12.
What is the InChIKey of N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine?
The InChIKey is YOBWRGUMQBZYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-17-9-13-7-8-15(13)16-11-18-10-12-5-3-4-6-14(12)16/h3-6,10-11,13,15,17H,2,7-9H2,1H3.
What are the key properties of N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine?
N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 81016883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).