5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine

C15H18BrN3 — CID 106540424

IUPAC5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine
SMILESBrc1cccc2c(NCC3CCCCN3)nccc12
InChIInChI=1S/C15H18BrN3/c16-14-6-3-5-13-12(14)7-9-18-15(13)19-10-11-4-1-2-8-17-11/h3,5-7,9,11,17H,1-2,4,8,10H2,(H,18,19)
InChIKeyYBOHXBGNFPKRGX-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.55
Rot. Bonds3

About 5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine

5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine (PubChem CID 106540424) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine
PubChem CID106540424
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine
SMILESBrc1cccc2c(NCC3CCCCN3)nccc12
InChIInChI=1S/C15H18BrN3/c16-14-6-3-5-13-12(14)7-9-18-15(13)19-10-11-4-1-2-8-17-11/h3,5-7,9,11,17H,1-2,4,8,10H2,(H,18,19)
InChIKeyYBOHXBGNFPKRGX-UHFFFAOYSA-N
XLogP3.55
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(piperidin-2-ylmethyl)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

[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol
CID 106538976
2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 103888779
5-bromo-N-[[2-(chloromethyl)cyclohexyl]methyl]isoquinolin-1-amine
CID 106542787
[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538971
2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol
CID 103847139
5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine
CID 106538925
N'-(5-bromoisoquinolin-1-yl)-N-cyclopropylethane-1,2-diamine
CID 106540509
3-bromo-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106876097
6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 115054238
N-(5-bromoisoquinolin-1-yl)-1-cyclohexylethane-1,2-diamine
CID 106540984
3-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 83833834
3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80515109

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine?
The IUPAC name of 5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine (CID 106540424) is 5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine.
What is the SMILES notation for 5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine?
The canonical SMILES for 5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine is Brc1cccc2c(NCC3CCCCN3)nccc12.
What is the InChIKey of 5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine?
The InChIKey is YBOHXBGNFPKRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c16-14-6-3-5-13-12(14)7-9-18-15(13)19-10-11-4-1-2-8-17-11/h3,5-7,9,11,17H,1-2,4,8,10H2,(H,18,19).
What are the key properties of 5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine?
5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine is sourced from PubChem (CID 106540424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).