3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine

C11H16BrClN2 — CID 106141347

IUPAC3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine
SMILESCC(C)(CCCl)CNc1ncccc1Br
InChIInChI=1S/C11H16BrClN2/c1-11(2,5-6-13)8-15-10-9(12)4-3-7-14-10/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyRWWFMZTUONOLQC-UHFFFAOYSA-N
MW291.62 g/mol
LogP3.91
Rot. Bonds5

About 3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine

3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine (PubChem CID 106141347) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine
PubChem CID106141347
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine
SMILESCC(C)(CCCl)CNc1ncccc1Br
InChIInChI=1S/C11H16BrClN2/c1-11(2,5-6-13)8-15-10-9(12)4-3-7-14-10/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyRWWFMZTUONOLQC-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
2-Amino-3-bromopyridine
CID 817700
5-bromo-N,N-dimethylpyridin-2-amine
CID 3803041
5-Bromo-N-methylpyridin-2-amine
CID 15645663
2-N-(3-Aminopropyl)-amino-5-bromopyridine
CID 10728144
5-bromo-N-ethylpyridin-2-amine
CID 22504916
5-Bromo-N-methyl-N-(propan-2-yl)pyridin-2-amine
CID 61373027
N-(5-Bromopyridin-2-YL)pivalamide
CID 15461537
2-(5-Bromo-2-pyridinyl)guanidine;hydrochloride
CID 56840512
N'-(5-Bromopyridin-2-yl)-N,N-dimethylformimidamide
CID 4288956

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine (CID 106141347) is 3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine is CC(C)(CCCl)CNc1ncccc1Br.
What is the InChIKey of 3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine?
The InChIKey is RWWFMZTUONOLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-11(2,5-6-13)8-15-10-9(12)4-3-7-14-10/h3-4,7H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine?
3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine has a molecular weight of 291.62 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine is sourced from PubChem (CID 106141347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).