5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine

C11H18BrN3 — CID 103517833

IUPAC5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine
SMILESCC(C)CCN(C)c1c(N)cncc1Br
InChIInChI=1S/C11H18BrN3/c1-8(2)4-5-15(3)11-9(12)6-14-7-10(11)13/h6-8H,4-5,13H2,1-3H3
InChIKeyZRWFSNAAVVKGJC-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.91
Rot. Bonds4

About 5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine

5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine (PubChem CID 103517833) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine
PubChem CID103517833
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine
SMILESCC(C)CCN(C)c1c(N)cncc1Br
InChIInChI=1S/C11H18BrN3/c1-8(2)4-5-15(3)11-9(12)6-14-7-10(11)13/h6-8H,4-5,13H2,1-3H3
InChIKeyZRWFSNAAVVKGJC-UHFFFAOYSA-N
XLogP2.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine (CID 103517833) is 5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine is CC(C)CCN(C)c1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine?
The InChIKey is ZRWFSNAAVVKGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8(2)4-5-15(3)11-9(12)6-14-7-10(11)13/h6-8H,4-5,13H2,1-3H3.
What are the key properties of 5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine?
5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-methyl-4-N-(3-methylbutyl)pyridine-3,4-diamine is sourced from PubChem (CID 103517833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).