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

C12H18BrN3 — CID 62855860

IUPAC3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CCC1)c1ncc(Br)cc1CN
InChIInChI=1S/C12H18BrN3/c1-16(8-9-3-2-4-9)12-10(6-14)5-11(13)7-15-12/h5,7,9H,2-4,6,8,14H2,1H3
InChIKeyLJYOOXYYZIQVIS-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.54
Rot. Bonds4

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

3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine (PubChem CID 62855860) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
PubChem CID62855860
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
SMILESCN(CC1CCC1)c1ncc(Br)cc1CN
InChIInChI=1S/C12H18BrN3/c1-16(8-9-3-2-4-9)12-10(6-14)5-11(13)7-15-12/h5,7,9H,2-4,6,8,14H2,1H3
InChIKeyLJYOOXYYZIQVIS-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine 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 3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine (CID 62855860) is 3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine is CN(CC1CCC1)c1ncc(Br)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine?
The InChIKey is LJYOOXYYZIQVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-16(8-9-3-2-4-9)12-10(6-14)5-11(13)7-15-12/h5,7,9H,2-4,6,8,14H2,1H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine?
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine has a molecular weight of 284.20 g/mol, XLogP of 2.54, 4 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-(cyclobutylmethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62855860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).