5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine

C15H23BrN2O — CID 115148399

IUPAC5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine
SMILESCc1nc(NCC(C)(C)C2CCOCC2)ccc1Br
InChIInChI=1S/C15H23BrN2O/c1-11-13(16)4-5-14(18-11)17-10-15(2,3)12-6-8-19-9-7-12/h4-5,12H,6-10H2,1-3H3,(H,17,18)
InChIKeyQVTFQXGZNXFKOW-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.02
Rot. Bonds4

About 5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine

5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine (PubChem CID 115148399) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine
PubChem CID115148399
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine
SMILESCc1nc(NCC(C)(C)C2CCOCC2)ccc1Br
InChIInChI=1S/C15H23BrN2O/c1-11-13(16)4-5-14(18-11)17-10-15(2,3)12-6-8-19-9-7-12/h4-5,12H,6-10H2,1-3H3,(H,17,18)
InChIKeyQVTFQXGZNXFKOW-UHFFFAOYSA-N
XLogP4.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine?
The IUPAC name of 5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine (CID 115148399) is 5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine is Cc1nc(NCC(C)(C)C2CCOCC2)ccc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine?
The InChIKey is QVTFQXGZNXFKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11-13(16)4-5-14(18-11)17-10-15(2,3)12-6-8-19-9-7-12/h4-5,12H,6-10H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine?
5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine has a molecular weight of 327.27 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 115148399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).