5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine

C14H15BrN2 — CID 106538925

IUPAC5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine
SMILESBrc1cccc2c(NCCC3CC3)nccc12
InChIInChI=1S/C14H15BrN2/c15-13-3-1-2-12-11(13)7-9-17-14(12)16-8-6-10-4-5-10/h1-3,7,9-10H,4-6,8H2,(H,16,17)
InChIKeyFALJKVPSEUUWRD-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.21
Rot. Bonds4

About 5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine

5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine (PubChem CID 106538925) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine
PubChem CID106538925
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine
SMILESBrc1cccc2c(NCCC3CC3)nccc12
InChIInChI=1S/C14H15BrN2/c15-13-3-1-2-12-11(13)7-9-17-14(12)16-8-6-10-4-5-10/h1-3,7,9-10H,4-6,8H2,(H,16,17)
InChIKeyFALJKVPSEUUWRD-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(5-bromoisoquinolin-1-yl)-N-cyclopropylethane-1,2-diamine
CID 106540509
5-bromo-N-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538484
5-bromo-N-(3-phenylpropyl)isoquinolin-1-amine
CID 106537707
5-bromo-N-(2-ethoxyethyl)isoquinolin-1-amine
CID 103847057
[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538971
2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 103888779
[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol
CID 106538976
2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol
CID 103847139
5-bromo-N-(4-methoxybutyl)isoquinolin-1-amine
CID 113346423
N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911728
5-bromo-N-[3-(2-methoxyethoxy)propyl]isoquinolin-1-amine
CID 103847031
5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine
CID 106540424

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine?
The IUPAC name of 5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine (CID 106538925) is 5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine.
What is the SMILES notation for 5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine?
The canonical SMILES for 5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine is Brc1cccc2c(NCCC3CC3)nccc12.
What is the InChIKey of 5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine?
The InChIKey is FALJKVPSEUUWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-13-3-1-2-12-11(13)7-9-17-14(12)16-8-6-10-4-5-10/h1-3,7,9-10H,4-6,8H2,(H,16,17).
What are the key properties of 5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine?
5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine has a molecular weight of 291.19 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine is sourced from PubChem (CID 106538925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).