6-(methylamino)-N-(6-oxohexyl)hexanamide

C13H26N2O2 — CID 134554361

IUPAC6-(methylamino)-N-(6-oxohexyl)hexanamide
SMILESCNCCCCCC(=O)NCCCCCC=O
InChIInChI=1S/C13H26N2O2/c1-14-10-6-4-5-9-13(17)15-11-7-2-3-8-12-16/h12,14H,2-11H2,1H3,(H,15,17)
InChIKeyAEHLJLLOHARUBL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.64
Rot. Bonds12

About 6-(methylamino)-N-(6-oxohexyl)hexanamide

6-(methylamino)-N-(6-oxohexyl)hexanamide (PubChem CID 134554361) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-(methylamino)-N-(6-oxohexyl)hexanamide.

Molecular Properties

Compound Name6-(methylamino)-N-(6-oxohexyl)hexanamide
PubChem CID134554361
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name6-(methylamino)-N-(6-oxohexyl)hexanamide
SMILESCNCCCCCC(=O)NCCCCCC=O
InChIInChI=1S/C13H26N2O2/c1-14-10-6-4-5-9-13(17)15-11-7-2-3-8-12-16/h12,14H,2-11H2,1H3,(H,15,17)
InChIKeyAEHLJLLOHARUBL-UHFFFAOYSA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

14-oxo-N-pentadecyltetradecanamide
CID 90756507
methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859
6-oxo-N-pentylhexanamide
CID 90124095
20-(methylamino)icosanal
CID 177224793
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290
N-(9-aminononyl)-9-oxononanamide
CID 174335255
ethane;8-(methylamino)octanal
CID 164864481
ethane;9-(methylamino)nonanal
CID 164864319
4-amino-N-(6-oxohexyl)butanamide
CID 155175150
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(6-oxohexyl)hexanamide?
The IUPAC name of 6-(methylamino)-N-(6-oxohexyl)hexanamide (CID 134554361) is 6-(methylamino)-N-(6-oxohexyl)hexanamide.
What is the SMILES notation for 6-(methylamino)-N-(6-oxohexyl)hexanamide?
The canonical SMILES for 6-(methylamino)-N-(6-oxohexyl)hexanamide is CNCCCCCC(=O)NCCCCCC=O.
What is the InChIKey of 6-(methylamino)-N-(6-oxohexyl)hexanamide?
The InChIKey is AEHLJLLOHARUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14-10-6-4-5-9-13(17)15-11-7-2-3-8-12-16/h12,14H,2-11H2,1H3,(H,15,17).
What are the key properties of 6-(methylamino)-N-(6-oxohexyl)hexanamide?
6-(methylamino)-N-(6-oxohexyl)hexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.64, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(6-oxohexyl)hexanamide is sourced from PubChem (CID 134554361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).