5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine

C15H24BrN3O — CID 62282729

IUPAC5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(CC)CC1CCCO1
InChIInChI=1S/C15H24BrN3O/c1-3-17-9-12-8-13(16)10-18-15(12)19(4-2)11-14-6-5-7-20-14/h8,10,14,17H,3-7,9,11H2,1-2H3
InChIKeyZUKJJQIVKDQOFE-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.96
Rot. Bonds7

About 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine

5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine (PubChem CID 62282729) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
PubChem CID62282729
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(CC)CC1CCCO1
InChIInChI=1S/C15H24BrN3O/c1-3-17-9-12-8-13(16)10-18-15(12)19(4-2)11-14-6-5-7-20-14/h8,10,14,17H,3-7,9,11H2,1-2H3
InChIKeyZUKJJQIVKDQOFE-UHFFFAOYSA-N
XLogP2.96
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62000205
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62295126
N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine
CID 62292146
3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62287912
5-bromo-N-ethyl-2-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179962
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81438909
2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 79075350
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100
N-ethyl-2-methyl-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 134707902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine (CID 62282729) is 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine is CCNCc1cc(Br)cnc1N(CC)CC1CCCO1.
What is the InChIKey of 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The InChIKey is ZUKJJQIVKDQOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-3-17-9-12-8-13(16)10-18-15(12)19(4-2)11-14-6-5-7-20-14/h8,10,14,17H,3-7,9,11H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine has a molecular weight of 342.28 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62282729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).