3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine

C12H19BrN2 — CID 106876953

IUPAC3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)CC(C)(C)C)c1Br
InChIInChI=1S/C12H19BrN2/c1-9-6-7-14-11(10(9)13)15(5)8-12(2,3)4/h6-7H,8H2,1-5H3
InChIKeyPLMLCDKNIBBOBF-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.63
Rot. Bonds2

About 3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine

3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine (PubChem CID 106876953) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
PubChem CID106876953
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)CC(C)(C)C)c1Br
InChIInChI=1S/C12H19BrN2/c1-9-6-7-14-11(10(9)13)15(5)8-12(2,3)4/h6-7H,8H2,1-5H3
InChIKeyPLMLCDKNIBBOBF-UHFFFAOYSA-N
XLogP3.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine (CID 106876953) is 3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine is Cc1ccnc(N(C)CC(C)(C)C)c1Br.
What is the InChIKey of 3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine?
The InChIKey is PLMLCDKNIBBOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-9-6-7-14-11(10(9)13)15(5)8-12(2,3)4/h6-7H,8H2,1-5H3.
What are the key properties of 3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine?
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine has a molecular weight of 271.20 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 106876953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).