2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

C15H20BrN3 — CID 112617830

IUPAC2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H20BrN3/c1-11(10-19(2)3)18-9-12-6-7-14(16)13-5-4-8-17-15(12)13/h4-8,11,18H,9-10H2,1-3H3
InChIKeySFGOYAYPBRYCLA-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.04
Rot. Bonds5

About 2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 112617830) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID112617830
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)NCc1ccc(Br)c2cccnc12
InChIInChI=1S/C15H20BrN3/c1-11(10-19(2)3)18-9-12-6-7-14(16)13-5-4-8-17-15(12)13/h4-8,11,18H,9-10H2,1-3H3
InChIKeySFGOYAYPBRYCLA-UHFFFAOYSA-N
XLogP3.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-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

N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
CID 115958942
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
(2S)-2-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutanoic acid
CID 120510503
(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine
CID 103940764
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 115959259
N-[(5-bromoquinolin-8-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115968069
5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
CID 107267644
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136
4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine
CID 112618640
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 112617830) is 2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)NCc1ccc(Br)c2cccnc12.
What is the InChIKey of 2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is SFGOYAYPBRYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-11(10-19(2)3)18-9-12-6-7-14(16)13-5-4-8-17-15(12)13/h4-8,11,18H,9-10H2,1-3H3.
What are the key properties of 2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 322.25 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 112617830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).