1-(5-bromo-3-pyridinyl)hexan-3-amine

C11H17BrN2 — CID 104799822

IUPAC1-(5-bromo-3-pyridinyl)hexan-3-amine
SMILESCCCC(N)CCc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-2-3-11(13)5-4-9-6-10(12)8-14-7-9/h6-8,11H,2-5,13H2,1H3
InChIKeyKWWUUEYVEQRXAH-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.90
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)hexan-3-amine

1-(5-bromo-3-pyridinyl)hexan-3-amine (PubChem CID 104799822) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)hexan-3-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)hexan-3-amine
PubChem CID104799822
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name1-(5-bromo-3-pyridinyl)hexan-3-amine
SMILESCCCC(N)CCc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-2-3-11(13)5-4-9-6-10(12)8-14-7-9/h6-8,11H,2-5,13H2,1H3
InChIKeyKWWUUEYVEQRXAH-UHFFFAOYSA-N
XLogP2.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
1-(5-bromo-3-pyridinyl)octan-2-amine
CID 105036807
1-pyridin-3-ylhexan-3-amine
CID 64506028
1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
6-(5-bromo-3-pyridinyl)-2,2-dimethylhexan-3-amine
CID 104811931
3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
CID 104800164
1-pyridin-4-ylhexan-3-amine
CID 105080578
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
3-amino-1-(5-bromo-3-pyridinyl)heptan-2-one
CID 116556893
3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine
CID 177207439

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)hexan-3-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)hexan-3-amine (CID 104799822) is 1-(5-bromo-3-pyridinyl)hexan-3-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)hexan-3-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)hexan-3-amine is CCCC(N)CCc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)hexan-3-amine?
The InChIKey is KWWUUEYVEQRXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-2-3-11(13)5-4-9-6-10(12)8-14-7-9/h6-8,11H,2-5,13H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)hexan-3-amine?
1-(5-bromo-3-pyridinyl)hexan-3-amine has a molecular weight of 257.17 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)hexan-3-amine is sourced from PubChem (CID 104799822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).