5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine

C17H22BrN3 — CID 106538482

IUPAC5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
SMILESCC(CNc1nccc2c(Br)cccc12)CN1CCCC1
InChIInChI=1S/C17H22BrN3/c1-13(12-21-9-2-3-10-21)11-20-17-15-5-4-6-16(18)14(15)7-8-19-17/h4-8,13H,2-3,9-12H2,1H3,(H,19,20)
InChIKeyNDQDVXVPLXBHPK-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.14
Rot. Bonds5

About 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine

5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine (PubChem CID 106538482) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
PubChem CID106538482
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
SMILESCC(CNc1nccc2c(Br)cccc12)CN1CCCC1
InChIInChI=1S/C17H22BrN3/c1-13(12-21-9-2-3-10-21)11-20-17-15-5-4-6-16(18)14(15)7-8-19-17/h4-8,13H,2-3,9-12H2,1H3,(H,19,20)
InChIKeyNDQDVXVPLXBHPK-UHFFFAOYSA-N
XLogP4.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromoisoquinolin-1-yl)-2-methylbutane-1,4-diamine
CID 106543454
5-bromo-N-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538484
N-(2-methyl-3-pyrrolidin-1-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 62992310
5-bromo-N-(2-phenylpropyl)isoquinolin-1-amine
CID 106539446
1-N-(5-bromoisoquinolin-1-yl)butane-1,2-diamine
CID 106540633
4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 62994226
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoline-4,8-diamine
CID 83066031
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine
CID 66340331
N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 60966697
N'-(5-bromoisoquinolin-1-yl)-N-cyclopropylethane-1,2-diamine
CID 106540509
N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]thieno[2,3-d]pyrimidin-4-amine
CID 51891886
5-bromo-N-(1-chloropropan-2-yl)isoquinolin-1-amine
CID 106542700

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine?
The IUPAC name of 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine (CID 106538482) is 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine.
What is the SMILES notation for 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine?
The canonical SMILES for 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine is CC(CNc1nccc2c(Br)cccc12)CN1CCCC1.
What is the InChIKey of 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine?
The InChIKey is NDQDVXVPLXBHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-13(12-21-9-2-3-10-21)11-20-17-15-5-4-6-16(18)14(15)7-8-19-17/h4-8,13H,2-3,9-12H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine?
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine has a molecular weight of 348.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine is sourced from PubChem (CID 106538482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).