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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Related Compounds

CID 16067787
CID 16067787
CID 44403263
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CID 11446762
CID 11446762
CID 14975195
CID 14975195
CID 165643641
CID 165643641
CID 14003067
CID 14003067
CID 14003068
CID 14003068
CID 22280405
CID 22280405
CID 25136843
CID 25136843
CID 45791277
CID 45791277
CID 62830609
CID 62830609
CID 13979732
CID 13979732

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).