6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine

C13H21BrN2 — CID 104811931

IUPAC6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine
SMILESCC(C)(C)C(N)CCCc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-13(2,3)12(15)6-4-5-10-7-11(14)9-16-8-10/h7-9,12H,4-6,15H2,1-3H3
InChIKeyNRVANPLJJVZYNG-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.54
Rot. Bonds4

About 6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine

6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine (PubChem CID 104811931) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine
PubChem CID104811931
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine
SMILESCC(C)(C)C(N)CCCc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-13(2,3)12(15)6-4-5-10-7-11(14)9-16-8-10/h7-9,12H,4-6,15H2,1-3H3
InChIKeyNRVANPLJJVZYNG-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine
CID 79709444
1-(5-bromo-3-pyridinyl)hexan-3-amine
CID 104799822
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
CID 104811963
6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
CID 104812007
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
1-(5-bromo-3-pyridinyl)octan-2-amine
CID 105036807
6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine
CID 64505120

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine?
The IUPAC name of 6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine (CID 104811931) is 6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine.
What is the SMILES notation for 6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine?
The canonical SMILES for 6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine is CC(C)(C)C(N)CCCc1cncc(Br)c1.
What is the InChIKey of 6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine?
The InChIKey is NRVANPLJJVZYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-13(2,3)12(15)6-4-5-10-7-11(14)9-16-8-10/h7-9,12H,4-6,15H2,1-3H3.
What are the key properties of 6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine?
6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine has a molecular weight of 285.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine is sourced from PubChem (CID 104811931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).