5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine

C12H20BrN3 — CID 79478026

IUPAC5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine
SMILESCCC(C)CN(CC)c1ncc(Br)cc1N
InChIInChI=1S/C12H20BrN3/c1-4-9(3)8-16(5-2)12-11(14)6-10(13)7-15-12/h6-7,9H,4-5,8,14H2,1-3H3
InChIKeyIGDDFQDFFBHIRQ-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.30
Rot. Bonds5

About 5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine

5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine (PubChem CID 79478026) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine
PubChem CID79478026
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine
SMILESCCC(C)CN(CC)c1ncc(Br)cc1N
InChIInChI=1S/C12H20BrN3/c1-4-9(3)8-16(5-2)12-11(14)6-10(13)7-15-12/h6-7,9H,4-5,8,14H2,1-3H3
InChIKeyIGDDFQDFFBHIRQ-UHFFFAOYSA-N
XLogP3.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine (CID 79478026) is 5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine is CCC(C)CN(CC)c1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine?
The InChIKey is IGDDFQDFFBHIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-4-9(3)8-16(5-2)12-11(14)6-10(13)7-15-12/h6-7,9H,4-5,8,14H2,1-3H3.
What are the key properties of 5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine?
5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine has a molecular weight of 286.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-2-N-(2-methylbutyl)pyridine-2,3-diamine is sourced from PubChem (CID 79478026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).