5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine

C12H17BrN2O — CID 71920301

IUPAC5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)CC1CCOC1
InChIInChI=1S/C12H17BrN2O/c1-9-5-11(13)6-14-12(9)15(2)7-10-3-4-16-8-10/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyXZYIYAQQHPIBEJ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.63
Rot. Bonds3

About 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine

5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine (PubChem CID 71920301) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
PubChem CID71920301
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(Br)cnc1N(C)CC1CCOC1
InChIInChI=1S/C12H17BrN2O/c1-9-5-11(13)6-14-12(9)15(2)7-10-3-4-16-8-10/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyXZYIYAQQHPIBEJ-UHFFFAOYSA-N
XLogP2.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-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 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine (CID 71920301) is 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine is Cc1cc(Br)cnc1N(C)CC1CCOC1.
What is the InChIKey of 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
The InChIKey is XZYIYAQQHPIBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-5-11(13)6-14-12(9)15(2)7-10-3-4-16-8-10/h5-6,10H,3-4,7-8H2,1-2H3.
What are the key properties of 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine?
5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine has a molecular weight of 285.19 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,3-dimethyl-N-(oxolan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 71920301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).