1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine

C11H18BrN3 — CID 106879197

IUPAC1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
SMILESCc1ccnc(N(C)CCC(C)N)c1Br
InChIInChI=1S/C11H18BrN3/c1-8-4-6-14-11(10(8)12)15(3)7-5-9(2)13/h4,6,9H,5,7,13H2,1-3H3
InChIKeyDFKLNOXMJSLGEU-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.33
Rot. Bonds4

About 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine

1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine (PubChem CID 106879197) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
PubChem CID106879197
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
SMILESCc1ccnc(N(C)CCC(C)N)c1Br
InChIInChI=1S/C11H18BrN3/c1-8-4-6-14-11(10(8)12)15(3)7-5-9(2)13/h4,6,9H,5,7,13H2,1-3H3
InChIKeyDFKLNOXMJSLGEU-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-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 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine (CID 106879197) is 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine is Cc1ccnc(N(C)CCC(C)N)c1Br.
What is the InChIKey of 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine?
The InChIKey is DFKLNOXMJSLGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8-4-6-14-11(10(8)12)15(3)7-5-9(2)13/h4,6,9H,5,7,13H2,1-3H3.
What are the key properties of 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine?
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 106879197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).