3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine

C12H17Br2ClN2 — CID 106141963

IUPAC3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine
SMILESCC(C)(CCCCl)CNc1ncc(Br)cc1Br
InChIInChI=1S/C12H17Br2ClN2/c1-12(2,4-3-5-15)8-17-11-10(14)6-9(13)7-16-11/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyOUJVCCWADNYECD-UHFFFAOYSA-N
MW384.54 g/mol
LogP5.06
Rot. Bonds6

About 3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine

3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine (PubChem CID 106141963) has the molecular formula C12H17Br2ClN2 and a molecular weight of 384.54 g/mol. Its IUPAC name is 3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine
PubChem CID106141963
Molecular FormulaC12H17Br2ClN2
Molecular Weight384.54 g/mol
Exact Mass381.94
IUPAC Name3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine
SMILESCC(C)(CCCCl)CNc1ncc(Br)cc1Br
InChIInChI=1S/C12H17Br2ClN2/c1-12(2,4-3-5-15)8-17-11-10(14)6-9(13)7-16-11/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyOUJVCCWADNYECD-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 55.06
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

N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine
CID 106142695
5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796286
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144830
N-[(5-bromo-3-pyridinyl)methyl]-5-chloro-2,2-dimethylpentan-1-amine
CID 106140672
3,5-dibromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridin-2-amine
CID 106354418
4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106140711
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine
CID 106142257
3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine
CID 106141347
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine
CID 106142341
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine (CID 106141963) is 3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine is CC(C)(CCCCl)CNc1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine?
The InChIKey is OUJVCCWADNYECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2ClN2/c1-12(2,4-3-5-15)8-17-11-10(14)6-9(13)7-16-11/h6-7H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine?
3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine has a molecular weight of 384.54 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine is sourced from PubChem (CID 106141963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).