5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine

C11H15BrN2 — CID 126561495

IUPAC5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine
SMILESC=C(Nc1cncc(Br)c1)C(C)(C)C
InChIInChI=1S/C11H15BrN2/c1-8(11(2,3)4)14-10-5-9(12)6-13-7-10/h5-7,14H,1H2,2-4H3
InChIKeyDFDLLBIPARHEFA-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.82
Rot. Bonds2

About 5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine

5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine (PubChem CID 126561495) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine
PubChem CID126561495
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine
SMILESC=C(Nc1cncc(Br)c1)C(C)(C)C
InChIInChI=1S/C11H15BrN2/c1-8(11(2,3)4)14-10-5-9(12)6-13-7-10/h5-7,14H,1H2,2-4H3
InChIKeyDFDLLBIPARHEFA-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
methyl 2-[(5-bromo-3-pyridinyl)amino]-2-oxoacetate
CID 130486481
3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 130486029
N-(5-bromo-3-pyridinyl)-2-methoxyacetamide
CID 130164423
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine
CID 113423544
N-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130164401
2-[(5-bromo-3-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107866453
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175
2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
CID 131877177
3-bromo-5-prop-1-en-2-ylpyridine
CID 86707020
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine (CID 126561495) is 5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine is C=C(Nc1cncc(Br)c1)C(C)(C)C.
What is the InChIKey of 5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine?
The InChIKey is DFDLLBIPARHEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8(11(2,3)4)14-10-5-9(12)6-13-7-10/h5-7,14H,1H2,2-4H3.
What are the key properties of 5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine?
5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine has a molecular weight of 255.16 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-dimethylbut-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 126561495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).