N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C11H18BrN3O — CID 104531739

IUPACN-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1cncc(Br)c1
InChIInChI=1S/C11H18BrN3O/c1-15(5-6-16-2)4-3-14-11-7-10(12)8-13-9-11/h7-9,14H,3-6H2,1-2H3
InChIKeyNIWJBGVFUMUNQD-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.83
Rot. Bonds7

About N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 104531739) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID104531739
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC NameN-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1cncc(Br)c1
InChIInChI=1S/C11H18BrN3O/c1-15(5-6-16-2)4-3-14-11-7-10(12)8-13-9-11/h7-9,14H,3-6H2,1-2H3
InChIKeyNIWJBGVFUMUNQD-UHFFFAOYSA-N
XLogP1.83
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methoxyethyl)-N'-methyl-N-pyridin-4-ylethane-1,2-diamine
CID 62844188
N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 113423561
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
4-bromo-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 65342624
5-bromo-N-hexylpyridin-3-amine
CID 115656852
N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 115355108
5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine
CID 100678145
2-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzamide
CID 62848528
2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine
CID 66281077
5-N-(2-methoxyethyl)-5-N-propan-2-yl-3-N-propylpyridine-3,5-diamine
CID 113424214
5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine
CID 133318444
N-(4-bromo-2-nitrophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55130087

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 104531739) is N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNc1cncc(Br)c1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is NIWJBGVFUMUNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-15(5-6-16-2)4-3-14-11-7-10(12)8-13-9-11/h7-9,14H,3-6H2,1-2H3.
What are the key properties of N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 288.19 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 104531739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).