5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine

C13H22BrN3 — CID 55055106

IUPAC5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCCN(CC(C)C)c1ncc(Br)cc1CNC
InChIInChI=1S/C13H22BrN3/c1-5-17(9-10(2)3)13-11(7-15-4)6-12(14)8-16-13/h6,8,10,15H,5,7,9H2,1-4H3
InChIKeyBXSLQSNHMOVWGA-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.05
Rot. Bonds6

About 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine

5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 55055106) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
PubChem CID55055106
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
SMILESCCN(CC(C)C)c1ncc(Br)cc1CNC
InChIInChI=1S/C13H22BrN3/c1-5-17(9-10(2)3)13-11(7-15-4)6-12(14)8-16-13/h6,8,10,15H,5,7,9H2,1-4H3
InChIKeyBXSLQSNHMOVWGA-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 55054995
5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282182
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
5-bromo-3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-2-amine
CID 63489111
5-bromo-N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281268
1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
CID 62290504
5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 55054384
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63487745
5-bromo-3-(chloromethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62000189
5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288093
N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine (CID 55055106) is 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine is CCN(CC(C)C)c1ncc(Br)cc1CNC.
What is the InChIKey of 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is BXSLQSNHMOVWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-5-17(9-10(2)3)13-11(7-15-4)6-12(14)8-16-13/h6,8,10,15H,5,7,9H2,1-4H3.
What are the key properties of 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine?
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 55055106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).