5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine

C15H24BrN3O — CID 62293675

IUPAC5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(Br)cnc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C15H24BrN3O/c1-11(12-4-5-12)19(6-7-20-3)15-13(9-17-2)8-14(16)10-18-15/h8,10-12,17H,4-7,9H2,1-3H3
InChIKeyQRLLGTWNHFUMAU-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.81
Rot. Bonds8

About 5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine

5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine (PubChem CID 62293675) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine
PubChem CID62293675
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(Br)cnc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C15H24BrN3O/c1-11(12-4-5-12)19(6-7-20-3)15-13(9-17-2)8-14(16)10-18-15/h8,10-12,17H,4-7,9H2,1-3H3
InChIKeyQRLLGTWNHFUMAU-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952955
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952628
5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 80820388
5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carbonitrile
CID 103468029
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282579
5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282182
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195
5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 55054995
6-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958355
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 62287274
5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80821177
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55055106

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine (CID 62293675) is 5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine is CNCc1cc(Br)cnc1N(CCOC)C(C)C1CC1.
What is the InChIKey of 5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine?
The InChIKey is QRLLGTWNHFUMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-11(12-4-5-12)19(6-7-20-3)15-13(9-17-2)8-14(16)10-18-15/h8,10-12,17H,4-7,9H2,1-3H3.
What are the key properties of 5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine?
5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine has a molecular weight of 342.28 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62293675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).