N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine

C14H18BrN3 — CID 103911728

IUPACN-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1nccc2c(Br)cccc12
InChIInChI=1S/C14H18BrN3/c1-3-18(2)10-9-17-14-12-5-4-6-13(15)11(12)7-8-16-14/h4-8H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyXHGZLNRCHBCIIC-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.36
Rot. Bonds5

About N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 103911728) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID103911728
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC NameN-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1nccc2c(Br)cccc12
InChIInChI=1S/C14H18BrN3/c1-3-18(2)10-9-17-14-12-5-4-6-13(15)11(12)7-8-16-14/h4-8H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyXHGZLNRCHBCIIC-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-ethoxyethyl)isoquinolin-1-amine
CID 103847057
5-bromo-N-(4-methoxybutyl)isoquinolin-1-amine
CID 113346423
2-[(5-bromoisoquinolin-1-yl)amino]-N-ethylethanesulfonamide
CID 106337975
1-N-(5-bromoisoquinolin-1-yl)butane-1,2-diamine
CID 106540633
5-bromo-N-(2-cyclopropylethyl)isoquinolin-1-amine
CID 106538925
N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine
CID 143389811
1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine
CID 82570281
N'-(5-bromoisoquinolin-1-yl)-N-cyclopropylethane-1,2-diamine
CID 106540509
5-bromo-N-(3-phenylpropyl)isoquinolin-1-amine
CID 106537707
5-bromo-N-[3-(2-methoxyethoxy)propyl]isoquinolin-1-amine
CID 103847031
3-[(5-bromoisoquinolin-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 103888994
5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine
CID 106537294

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 103911728) is N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNc1nccc2c(Br)cccc12.
What is the InChIKey of N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is XHGZLNRCHBCIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-18(2)10-9-17-14-12-5-4-6-13(15)11(12)7-8-16-14/h4-8H,3,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 308.22 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoisoquinolin-1-yl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103911728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).