N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine

C14H15BrN2 — CID 178046560

IUPACN-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine
SMILESBrc1ccc2nccc(CNC3CCC3)c2c1
InChIInChI=1S/C14H15BrN2/c15-11-4-5-14-13(8-11)10(6-7-16-14)9-17-12-2-1-3-12/h4-8,12,17H,1-3,9H2
InChIKeyKOTORYLNSUJKLY-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.64
Rot. Bonds3

About N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine

N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine (PubChem CID 178046560) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine
PubChem CID178046560
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine
SMILESBrc1ccc2nccc(CNC3CCC3)c2c1
InChIInChI=1S/C14H15BrN2/c15-11-4-5-14-13(8-11)10(6-7-16-14)9-17-12-2-1-3-12/h4-8,12,17H,1-3,9H2
InChIKeyKOTORYLNSUJKLY-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine (CID 178046560) is N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine is Brc1ccc2nccc(CNC3CCC3)c2c1.
What is the InChIKey of N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine?
The InChIKey is KOTORYLNSUJKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-11-4-5-14-13(8-11)10(6-7-16-14)9-17-12-2-1-3-12/h4-8,12,17H,1-3,9H2.
What are the key properties of N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine?
N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine has a molecular weight of 291.19 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine is sourced from PubChem (CID 178046560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).