1-(5-bromo-1H-indol-3-yl)hexan-3-imine

C14H17BrN2 — CID 174643516

IUPAC1-(5-bromo-1H-indol-3-yl)hexan-3-imine
SMILES[H]/N=C(\CCC)CCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2/c1-2-3-12(16)6-4-10-9-17-14-7-5-11(15)8-13(10)14/h5,7-9,16-17H,2-4,6H2,1H3/b16-12+
InChIKeyXJZGJQSTXPOIPV-FOWTUZBSSA-N
MW293.21 g/mol
LogP4.68
Rot. Bonds5

About 1-(5-bromo-1H-indol-3-yl)hexan-3-imine

1-(5-bromo-1H-indol-3-yl)hexan-3-imine (PubChem CID 174643516) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-3-yl)hexan-3-imine.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-3-yl)hexan-3-imine
PubChem CID174643516
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name1-(5-bromo-1H-indol-3-yl)hexan-3-imine
SMILES[H]/N=C(\CCC)CCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2/c1-2-3-12(16)6-4-10-9-17-14-7-5-11(15)8-13(10)14/h5,7-9,16-17H,2-4,6H2,1H3/b16-12+
InChIKeyXJZGJQSTXPOIPV-FOWTUZBSSA-N
XLogP4.68
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine oxide
CID 53493869
3-propyl-1H-indol-5-ol
CID 15366338
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
2-(5-bromo-1H-indol-3-yl)acetaldehyde
CID 20623493
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
3-(5-bromo-1H-indol-3-yl)-2-(butanoylamino)propanoic acid
CID 119257930
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 121221172
2-(5-hydroxy-1H-indol-3-yl)ethyl-tripropylazanium;iodide;hydrate
CID 170646984
1-(1H-indol-3-yl)hexan-3-one
CID 166814803

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-3-yl)hexan-3-imine?
The IUPAC name of 1-(5-bromo-1H-indol-3-yl)hexan-3-imine (CID 174643516) is 1-(5-bromo-1H-indol-3-yl)hexan-3-imine.
What is the SMILES notation for 1-(5-bromo-1H-indol-3-yl)hexan-3-imine?
The canonical SMILES for 1-(5-bromo-1H-indol-3-yl)hexan-3-imine is [H]/N=C(\CCC)CCc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1H-indol-3-yl)hexan-3-imine?
The InChIKey is XJZGJQSTXPOIPV-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-2-3-12(16)6-4-10-9-17-14-7-5-11(15)8-13(10)14/h5,7-9,16-17H,2-4,6H2,1H3/b16-12+.
What are the key properties of 1-(5-bromo-1H-indol-3-yl)hexan-3-imine?
1-(5-bromo-1H-indol-3-yl)hexan-3-imine has a molecular weight of 293.21 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-3-yl)hexan-3-imine is sourced from PubChem (CID 174643516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).