6-bromo-N,N-di(propan-2-yl)pyridin-2-amine

C11H17BrN2 — CID 130153163

IUPAC6-bromo-N,N-di(propan-2-yl)pyridin-2-amine
SMILESCC(C)N(c1cccc(Br)n1)C(C)C
InChIInChI=1S/C11H17BrN2/c1-8(2)14(9(3)4)11-7-5-6-10(12)13-11/h5-9H,1-4H3
InChIKeyOUZRHUCQGXWJEL-UHFFFAOYSA-N
MW257.18 g/mol
LogP3.47
Rot. Bonds3

About 6-bromo-N,N-di(propan-2-yl)pyridin-2-amine

6-bromo-N,N-di(propan-2-yl)pyridin-2-amine (PubChem CID 130153163) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 6-bromo-N,N-di(propan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N,N-di(propan-2-yl)pyridin-2-amine
PubChem CID130153163
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name6-bromo-N,N-di(propan-2-yl)pyridin-2-amine
SMILESCC(C)N(c1cccc(Br)n1)C(C)C
InChIInChI=1S/C11H17BrN2/c1-8(2)14(9(3)4)11-7-5-6-10(12)13-11/h5-9H,1-4H3
InChIKeyOUZRHUCQGXWJEL-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N,N-di(propan-2-yl)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 6-bromo-N,N-di(propan-2-yl)pyridin-2-amine?
The IUPAC name of 6-bromo-N,N-di(propan-2-yl)pyridin-2-amine (CID 130153163) is 6-bromo-N,N-di(propan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N,N-di(propan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N,N-di(propan-2-yl)pyridin-2-amine is CC(C)N(c1cccc(Br)n1)C(C)C.
What is the InChIKey of 6-bromo-N,N-di(propan-2-yl)pyridin-2-amine?
The InChIKey is OUZRHUCQGXWJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-8(2)14(9(3)4)11-7-5-6-10(12)13-11/h5-9H,1-4H3.
What are the key properties of 6-bromo-N,N-di(propan-2-yl)pyridin-2-amine?
6-bromo-N,N-di(propan-2-yl)pyridin-2-amine has a molecular weight of 257.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-di(propan-2-yl)pyridin-2-amine is sourced from PubChem (CID 130153163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).