1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine

C9H13BrN2 — CID 84792529

IUPAC1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cnccc1Br
InChIInChI=1S/C9H13BrN2/c1-9(2,11)5-7-6-12-4-3-8(7)10/h3-4,6H,5,11H2,1-2H3
InChIKeyKRBQYCNARNBWBU-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.12
Rot. Bonds2

About 1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine

1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine (PubChem CID 84792529) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine
PubChem CID84792529
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cnccc1Br
InChIInChI=1S/C9H13BrN2/c1-9(2,11)5-7-6-12-4-3-8(7)10/h3-4,6H,5,11H2,1-2H3
InChIKeyKRBQYCNARNBWBU-UHFFFAOYSA-N
XLogP2.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine (CID 84792529) is 1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine is CC(C)(N)Cc1cnccc1Br.
What is the InChIKey of 1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine?
The InChIKey is KRBQYCNARNBWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-9(2,11)5-7-6-12-4-3-8(7)10/h3-4,6H,5,11H2,1-2H3.
What are the key properties of 1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine?
1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine has a molecular weight of 229.12 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-pyridinyl)-2-methylpropan-2-amine is sourced from PubChem (CID 84792529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).