5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine

C15H23BrN2 — CID 114047673

IUPAC5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine
SMILESCc1nc(N(C)C2CCC(C)(C)CC2)ccc1Br
InChIInChI=1S/C15H23BrN2/c1-11-13(16)5-6-14(17-11)18(4)12-7-9-15(2,3)10-8-12/h5-6,12H,7-10H2,1-4H3
InChIKeyZVQBGLQSGJKFQZ-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.56
Rot. Bonds2

About 5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine

5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine (PubChem CID 114047673) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine
PubChem CID114047673
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine
SMILESCc1nc(N(C)C2CCC(C)(C)CC2)ccc1Br
InChIInChI=1S/C15H23BrN2/c1-11-13(16)5-6-14(17-11)18(4)12-7-9-15(2,3)10-8-12/h5-6,12H,7-10H2,1-4H3
InChIKeyZVQBGLQSGJKFQZ-UHFFFAOYSA-N
XLogP4.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine (CID 114047673) is 5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine is Cc1nc(N(C)C2CCC(C)(C)CC2)ccc1Br.
What is the InChIKey of 5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine?
The InChIKey is ZVQBGLQSGJKFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11-13(16)5-6-14(17-11)18(4)12-7-9-15(2,3)10-8-12/h5-6,12H,7-10H2,1-4H3.
What are the key properties of 5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine?
5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine has a molecular weight of 311.27 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 114047673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).