3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine

C11H18BrN3 — CID 62299284

IUPAC3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine
SMILESCCCCN(C)c1ncc(Br)cc1CN
InChIInChI=1S/C11H18BrN3/c1-3-4-5-15(2)11-9(7-13)6-10(12)8-14-11/h6,8H,3-5,7,13H2,1-2H3
InChIKeyFXJSJCMNGFFYQK-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.54
Rot. Bonds5

About 3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine

3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine (PubChem CID 62299284) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine
PubChem CID62299284
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine
SMILESCCCCN(C)c1ncc(Br)cc1CN
InChIInChI=1S/C11H18BrN3/c1-3-4-5-15(2)11-9(7-13)6-10(12)8-14-11/h6,8H,3-5,7,13H2,1-2H3
InChIKeyFXJSJCMNGFFYQK-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine (CID 62299284) is 3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine is CCCCN(C)c1ncc(Br)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine?
The InChIKey is FXJSJCMNGFFYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-3-4-5-15(2)11-9(7-13)6-10(12)8-14-11/h6,8H,3-5,7,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine?
3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine has a molecular weight of 272.19 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine is sourced from PubChem (CID 62299284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).