6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine

C12H17BrN2 — CID 131084756

IUPAC6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine
SMILESCC(C)C1(C)CC1Nc1cccc(Br)n1
InChIInChI=1S/C12H17BrN2/c1-8(2)12(3)7-9(12)14-11-6-4-5-10(13)15-11/h4-6,8-9H,7H2,1-3H3,(H,14,15)
InChIKeyOAYGJHDLHMWXDL-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.69
Rot. Bonds3

About 6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine

6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine (PubChem CID 131084756) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine
PubChem CID131084756
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine
SMILESCC(C)C1(C)CC1Nc1cccc(Br)n1
InChIInChI=1S/C12H17BrN2/c1-8(2)12(3)7-9(12)14-11-6-4-5-10(13)15-11/h4-6,8-9H,7H2,1-3H3,(H,14,15)
InChIKeyOAYGJHDLHMWXDL-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine (CID 131084756) is 6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine is CC(C)C1(C)CC1Nc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine?
The InChIKey is OAYGJHDLHMWXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-8(2)12(3)7-9(12)14-11-6-4-5-10(13)15-11/h4-6,8-9H,7H2,1-3H3,(H,14,15).
What are the key properties of 6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine?
6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine has a molecular weight of 269.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methyl-2-propan-2-ylcyclopropyl)pyridin-2-amine is sourced from PubChem (CID 131084756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).