3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine

C12H15BrN2 — CID 58476641

IUPAC3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine
SMILESCc1nc(C)c(C#CCN(C)C)cc1Br
InChIInChI=1S/C12H15BrN2/c1-9-11(6-5-7-15(3)4)8-12(13)10(2)14-9/h8H,7H2,1-4H3
InChIKeyAJQGHIRBYYIEIG-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.37
Rot. Bonds1

About 3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine

3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine (PubChem CID 58476641) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine
PubChem CID58476641
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine
SMILESCc1nc(C)c(C#CCN(C)C)cc1Br
InChIInChI=1S/C12H15BrN2/c1-9-11(6-5-7-15(3)4)8-12(13)10(2)14-9/h8H,7H2,1-4H3
InChIKeyAJQGHIRBYYIEIG-UHFFFAOYSA-N
XLogP2.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine?
The IUPAC name of 3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine (CID 58476641) is 3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine.
What is the SMILES notation for 3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine?
The canonical SMILES for 3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine is Cc1nc(C)c(C#CCN(C)C)cc1Br.
What is the InChIKey of 3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine?
The InChIKey is AJQGHIRBYYIEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-9-11(6-5-7-15(3)4)8-12(13)10(2)14-9/h8H,7H2,1-4H3.
What are the key properties of 3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine?
3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine has a molecular weight of 267.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine is sourced from PubChem (CID 58476641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).