N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine

C16H20BrN3 — CID 106540789

IUPACN-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine
SMILESCN(c1nccc2c(Br)cccc12)C1CCCC1CN
InChIInChI=1S/C16H20BrN3/c1-20(15-7-2-4-11(15)10-18)16-13-5-3-6-14(17)12(13)8-9-19-16/h3,5-6,8-9,11,15H,2,4,7,10,18H2,1H3
InChIKeyLDOKKCUJOUKXBV-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.56
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine

N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine (PubChem CID 106540789) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine
PubChem CID106540789
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine
SMILESCN(c1nccc2c(Br)cccc12)C1CCCC1CN
InChIInChI=1S/C16H20BrN3/c1-20(15-7-2-4-11(15)10-18)16-13-5-3-6-14(17)12(13)8-9-19-16/h3,5-6,8-9,11,15H,2,4,7,10,18H2,1H3
InChIKeyLDOKKCUJOUKXBV-UHFFFAOYSA-N
XLogP3.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-bromoisoquinolin-1-yl)-N'-cyclobutylpropane-1,3-diamine
CID 106543638
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106876164
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine
CID 79524147
ethyl 2-[(5-bromoisoquinolin-1-yl)-cyclopropylamino]acetate
CID 106541932
N'-(5-bromoisoquinolin-1-yl)-N'-propan-2-ylethane-1,2-diamine
CID 106542301
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796576
[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538971
2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentan-1-ol
CID 103847139
3-[(5-bromoisoquinolin-1-yl)-methylamino]-N'-hydroxypropanimidamide
CID 106537032
3-[(5-bromoisoquinolin-1-yl)-methylamino]propanimidamide
CID 106537064
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2,1-benzothiazol-3-amine
CID 66353624
[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol
CID 106538976

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine (CID 106540789) is N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine is CN(c1nccc2c(Br)cccc12)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine?
The InChIKey is LDOKKCUJOUKXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-20(15-7-2-4-11(15)10-18)16-13-5-3-6-14(17)12(13)8-9-19-16/h3,5-6,8-9,11,15H,2,4,7,10,18H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine?
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine has a molecular weight of 334.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methylisoquinolin-1-amine is sourced from PubChem (CID 106540789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).