5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine

C16H28BrN3 — CID 62283114

IUPAC5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
SMILESCCCC(C)N(C)c1ncc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C16H28BrN3/c1-7-8-12(2)20(6)15-13(9-14(17)11-18-15)10-19-16(3,4)5/h9,11-12,19H,7-8,10H2,1-6H3
InChIKeyPBPIMOKDMUGOQH-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.36
Rot. Bonds6

About 5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine

5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine (PubChem CID 62283114) has the molecular formula C16H28BrN3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
PubChem CID62283114
Molecular FormulaC16H28BrN3
Molecular Weight342.33 g/mol
Exact Mass341.15
IUPAC Name5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
SMILESCCCC(C)N(C)c1ncc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C16H28BrN3/c1-7-8-12(2)20(6)15-13(9-14(17)11-18-15)10-19-16(3,4)5/h9,11-12,19H,7-8,10H2,1-6H3
InChIKeyPBPIMOKDMUGOQH-UHFFFAOYSA-N
XLogP4.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine?
The IUPAC name of 5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine (CID 62283114) is 5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine is CCCC(C)N(C)c1ncc(Br)cc1CNC(C)(C)C.
What is the InChIKey of 5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine?
The InChIKey is PBPIMOKDMUGOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrN3/c1-7-8-12(2)20(6)15-13(9-14(17)11-18-15)10-19-16(3,4)5/h9,11-12,19H,7-8,10H2,1-6H3.
What are the key properties of 5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine?
5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine has a molecular weight of 342.33 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine is sourced from PubChem (CID 62283114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).