2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine

C15H22BrN3 — CID 104506859

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1c(N)cnc(N(C)CC2CC3CCC2C3)c1Br
InChIInChI=1S/C15H22BrN3/c1-9-13(17)7-18-15(14(9)16)19(2)8-12-6-10-3-4-11(12)5-10/h7,10-12H,3-6,8,17H2,1-2H3
InChIKeyXDLNXKYCJXJRPX-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.61
Rot. Bonds3

About 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine (PubChem CID 104506859) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine
PubChem CID104506859
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1c(N)cnc(N(C)CC2CC3CCC2C3)c1Br
InChIInChI=1S/C15H22BrN3/c1-9-13(17)7-18-15(14(9)16)19(2)8-12-6-10-3-4-11(12)5-10/h7,10-12H,3-6,8,17H2,1-2H3
InChIKeyXDLNXKYCJXJRPX-UHFFFAOYSA-N
XLogP3.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine (CID 104506859) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine is Cc1c(N)cnc(N(C)CC2CC3CCC2C3)c1Br.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine?
The InChIKey is XDLNXKYCJXJRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-9-13(17)7-18-15(14(9)16)19(2)8-12-6-10-3-4-11(12)5-10/h7,10-12H,3-6,8,17H2,1-2H3.
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine has a molecular weight of 324.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 104506859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).