N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine

C11H12BrN3 — CID 82571209

IUPACN'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine
SMILESNCCNc1nccc2cc(Br)ccc12
InChIInChI=1S/C11H12BrN3/c12-9-1-2-10-8(7-9)3-5-14-11(10)15-6-4-13/h1-3,5,7H,4,6,13H2,(H,14,15)
InChIKeyGVPBSOMNMKJALL-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.37
Rot. Bonds3

About N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine

N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine (PubChem CID 82571209) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine
PubChem CID82571209
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC NameN'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine
SMILESNCCNc1nccc2cc(Br)ccc12
InChIInChI=1S/C11H12BrN3/c12-9-1-2-10-8(7-9)3-5-14-11(10)15-6-4-13/h1-3,5,7H,4,6,13H2,(H,14,15)
InChIKeyGVPBSOMNMKJALL-UHFFFAOYSA-N
XLogP2.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine 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

(6-bromoisoquinolin-1-yl)hydrazine
CID 82062983
N'-(5,6,7-trifluoroisoquinolin-1-yl)ethane-1,2-diamine
CID 82571180
6-bromo-1-methylisoquinoline
CID 74889121
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)propane-1,3-diamine
CID 82571318
N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
CID 58524469
2-[(6-chloroisoquinolin-1-yl)amino]acetic acid
CID 82571044
N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 117224357
1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
CID 106539773
(2S,3R)-2-[(6-bromoisoquinolin-1-yl)amino]-N,3-bis[(2-methylpropan-2-yl)oxy]butanamide
CID 158550565
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
N'-(7-butylisoquinolin-1-yl)propane-1,3-diamine
CID 82571189
7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine
CID 169099885

Frequently Asked Questions

What is the IUPAC name of N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine (CID 82571209) is N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine is NCCNc1nccc2cc(Br)ccc12.
What is the InChIKey of N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine?
The InChIKey is GVPBSOMNMKJALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-9-1-2-10-8(7-9)3-5-14-11(10)15-6-4-13/h1-3,5,7H,4,6,13H2,(H,14,15).
What are the key properties of N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine?
N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine has a molecular weight of 266.14 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 82571209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).