5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine

C16H28BrN3O — CID 62282182

IUPAC5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOCCN(CC(C)C)c1ncc(Br)cc1CNC(C)C
InChIInChI=1S/C16H28BrN3O/c1-12(2)11-20(6-7-21-5)16-14(9-18-13(3)4)8-15(17)10-19-16/h8,10,12-13,18H,6-7,9,11H2,1-5H3
InChIKeyYQGMPQVGDRHKAC-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.45
Rot. Bonds9

About 5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine

5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62282182) has the molecular formula C16H28BrN3O and a molecular weight of 358.32 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62282182
Molecular FormulaC16H28BrN3O
Molecular Weight358.32 g/mol
Exact Mass357.14
IUPAC Name5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOCCN(CC(C)C)c1ncc(Br)cc1CNC(C)C
InChIInChI=1S/C16H28BrN3O/c1-12(2)11-20(6-7-21-5)16-14(9-18-13(3)4)8-15(17)10-19-16/h8,10,12-13,18H,6-7,9,11H2,1-5H3
InChIKeyYQGMPQVGDRHKAC-UHFFFAOYSA-N
XLogP3.45
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279366
5-bromo-3-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62000189
5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine
CID 54986753
N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631433
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55055106
5-bromo-N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281268
5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 55054384
N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 104566317
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952628
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849511
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 62287274
5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926132

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62282182) is 5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine is COCCN(CC(C)C)c1ncc(Br)cc1CNC(C)C.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is YQGMPQVGDRHKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrN3O/c1-12(2)11-20(6-7-21-5)16-14(9-18-13(3)4)8-15(17)10-19-16/h8,10,12-13,18H,6-7,9,11H2,1-5H3.
What are the key properties of 5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 358.32 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62282182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).