5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one

C14H19BrN2O — CID 114243983

IUPAC5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one
SMILESCCCCCC(N)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C14H19BrN2O/c1-2-3-4-5-12(16)10-6-9-7-14(18)17-13(9)8-11(10)15/h6,8,12H,2-5,7,16H2,1H3,(H,17,18)
InChIKeyUYSAJSKVWSKLTD-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.52
Rot. Bonds5

About 5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one

5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one (PubChem CID 114243983) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one
PubChem CID114243983
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one
SMILESCCCCCC(N)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C14H19BrN2O/c1-2-3-4-5-12(16)10-6-9-7-14(18)17-13(9)8-11(10)15/h6,8,12H,2-5,7,16H2,1H3,(H,17,18)
InChIKeyUYSAJSKVWSKLTD-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one
CID 114243982
5-(1-bromononyl)-6-chloro-1,3-dihydroindol-2-one
CID 65428912
5-(1-bromoheptyl)-6-chloro-1,3-dihydroindol-2-one
CID 114753608
5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one
CID 63443114
6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one
CID 61083654
5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid
CID 114243999
6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43487561
5-(1-bromodecyl)-1,3-dihydroindol-2-one
CID 65428909
(1R)-1-(6-bromo-1,3-benzodioxol-5-yl)hexan-1-amine
CID 171213184
6-chloro-5-[1-(ethylamino)pentyl]-1,3-dihydroindol-2-one
CID 43493705
6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
CID 43691740
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one (CID 114243983) is 5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one is CCCCCC(N)c1cc2c(cc1Br)NC(=O)C2.
What is the InChIKey of 5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one?
The InChIKey is UYSAJSKVWSKLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-3-4-5-12(16)10-6-9-7-14(18)17-13(9)8-11(10)15/h6,8,12H,2-5,7,16H2,1H3,(H,17,18).
What are the key properties of 5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one?
5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one has a molecular weight of 311.22 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one is sourced from PubChem (CID 114243983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).