2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol

C15H17BrN2O — CID 103847139

IUPAC2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNc1nccc2c(Br)cccc12
InChIInChI=1S/C15H17BrN2O/c16-13-5-2-4-12-11(13)7-8-17-15(12)18-9-10-3-1-6-14(10)19/h2,4-5,7-8,10,14,19H,1,3,6,9H2,(H,17,18)
InChIKeyMVRPKGQKKLFDMQ-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.57
Rot. Bonds3

About 2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol

2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 103847139) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol
PubChem CID103847139
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNc1nccc2c(Br)cccc12
InChIInChI=1S/C15H17BrN2O/c16-13-5-2-4-12-11(13)7-8-17-15(12)18-9-10-3-1-6-14(10)19/h2,4-5,7-8,10,14,19H,1,3,6,9H2,(H,17,18)
InChIKeyMVRPKGQKKLFDMQ-UHFFFAOYSA-N
XLogP3.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 103888779
[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538971
[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol
CID 106538976
5-bromo-N-[[2-(chloromethyl)cyclohexyl]methyl]isoquinolin-1-amine
CID 106542787
5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine
CID 106540424
5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine
CID 106538925
N'-(5-bromoisoquinolin-1-yl)-N-cyclopropylethane-1,2-diamine
CID 106540509
3-[(5-bromoisoquinolin-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 103888994
5-[(5-bromoisoquinolin-1-yl)amino]pentanamide
CID 106238554
5-bromo-N-(3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538484
3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 82813785
2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106538839

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol (CID 103847139) is 2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol is OC1CCCC1CNc1nccc2c(Br)cccc12.
What is the InChIKey of 2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is MVRPKGQKKLFDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-13-5-2-4-12-11(13)7-8-17-15(12)18-9-10-3-1-6-14(10)19/h2,4-5,7-8,10,14,19H,1,3,6,9H2,(H,17,18).
What are the key properties of 2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol?
2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 321.22 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103847139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).