4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine

C13H21BrN2 — CID 64507434

IUPAC4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine
SMILESCC(C)(C)C(Br)CCCc1ccnc(N)c1
InChIInChI=1S/C13H21BrN2/c1-13(2,3)11(14)6-4-5-10-7-8-16-12(15)9-10/h7-9,11H,4-6H2,1-3H3,(H2,15,16)
InChIKeyGOAASIXDBXPSTK-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.80
Rot. Bonds4

About 4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine

4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine (PubChem CID 64507434) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine
PubChem CID64507434
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine
SMILESCC(C)(C)C(Br)CCCc1ccnc(N)c1
InChIInChI=1S/C13H21BrN2/c1-13(2,3)11(14)6-4-5-10-7-8-16-12(15)9-10/h7-9,11H,4-6H2,1-3H3,(H2,15,16)
InChIKeyGOAASIXDBXPSTK-UHFFFAOYSA-N
XLogP3.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine?
The IUPAC name of 4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine (CID 64507434) is 4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine.
What is the SMILES notation for 4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine?
The canonical SMILES for 4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine is CC(C)(C)C(Br)CCCc1ccnc(N)c1.
What is the InChIKey of 4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine?
The InChIKey is GOAASIXDBXPSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-13(2,3)11(14)6-4-5-10-7-8-16-12(15)9-10/h7-9,11H,4-6H2,1-3H3,(H2,15,16).
What are the key properties of 4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine?
4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine has a molecular weight of 285.23 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine is sourced from PubChem (CID 64507434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).