5-bromo-N-hex-5-en-2-ylpyridin-3-amine

C11H15BrN2 — CID 104583994

IUPAC5-bromo-N-hex-5-en-2-ylpyridin-3-amine
SMILESC=CCCC(C)Nc1cncc(Br)c1
InChIInChI=1S/C11H15BrN2/c1-3-4-5-9(2)14-11-6-10(12)7-13-8-11/h3,6-9,14H,1,4-5H2,2H3
InChIKeyNYLBXJOWESCSLS-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.61
Rot. Bonds5

About 5-bromo-N-hex-5-en-2-ylpyridin-3-amine

5-bromo-N-hex-5-en-2-ylpyridin-3-amine (PubChem CID 104583994) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-bromo-N-hex-5-en-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-hex-5-en-2-ylpyridin-3-amine
PubChem CID104583994
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-bromo-N-hex-5-en-2-ylpyridin-3-amine
SMILESC=CCCC(C)Nc1cncc(Br)c1
InChIInChI=1S/C11H15BrN2/c1-3-4-5-9(2)14-11-6-10(12)7-13-8-11/h3,6-9,14H,1,4-5H2,2H3
InChIKeyNYLBXJOWESCSLS-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine
CID 115744781
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 115657686
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
CID 115657159
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
3,4,5-trifluoro-N-hex-5-en-2-ylaniline
CID 104655698
5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
CID 113243712
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
3-bromo-N-hex-5-en-2-yl-4-(trifluoromethoxy)aniline
CID 107335831
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine
CID 112695253
2-chloro-N-hex-5-en-2-ylpyridin-4-amine
CID 104655827

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hex-5-en-2-ylpyridin-3-amine?
The IUPAC name of 5-bromo-N-hex-5-en-2-ylpyridin-3-amine (CID 104583994) is 5-bromo-N-hex-5-en-2-ylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-hex-5-en-2-ylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-hex-5-en-2-ylpyridin-3-amine is C=CCCC(C)Nc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-hex-5-en-2-ylpyridin-3-amine?
The InChIKey is NYLBXJOWESCSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-3-4-5-9(2)14-11-6-10(12)7-13-8-11/h3,6-9,14H,1,4-5H2,2H3.
What are the key properties of 5-bromo-N-hex-5-en-2-ylpyridin-3-amine?
5-bromo-N-hex-5-en-2-ylpyridin-3-amine has a molecular weight of 255.16 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-hex-5-en-2-ylpyridin-3-amine is sourced from PubChem (CID 104583994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).