2-(methylamino)ethanol;N-methyl-6-oxohexanamide

C10H22N2O3 — CID 155596118

IUPAC2-(methylamino)ethanol;N-methyl-6-oxohexanamide
SMILESCNC(=O)CCCCC=O.CNCCO
InChIInChI=1S/C7H13NO2.C3H9NO/c1-8-7(10)5-3-2-4-6-9;1-4-2-3-5/h6H,2-5H2,1H3,(H,8,10);4-5H,2-3H2,1H3
InChIKeyKCPGPFILROKUNN-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.31
Rot. Bonds7

About 2-(methylamino)ethanol;N-methyl-6-oxohexanamide

2-(methylamino)ethanol;N-methyl-6-oxohexanamide (PubChem CID 155596118) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(methylamino)ethanol;N-methyl-6-oxohexanamide.

Molecular Properties

Compound Name2-(methylamino)ethanol;N-methyl-6-oxohexanamide
PubChem CID155596118
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-(methylamino)ethanol;N-methyl-6-oxohexanamide
SMILESCNC(=O)CCCCC=O.CNCCO
InChIInChI=1S/C7H13NO2.C3H9NO/c1-8-7(10)5-3-2-4-6-9;1-4-2-3-5/h6H,2-5H2,1H3,(H,8,10);4-5H,2-3H2,1H3
InChIKeyKCPGPFILROKUNN-UHFFFAOYSA-N
XLogP-0.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-methyl-18-oxooctadecanamide
CID 145081820
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
N-methyl-11-(methylamino)undecanamide
CID 59809097
N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
CID 155596032
N,N'-dimethylheptanediamide
CID 15166696
N-methyl-4-(methylamino)butanamide;molecular hydrogen
CID 176574478
20-(methylamino)icosanal
CID 177224793
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 79209725
ethane;8-(methylamino)octanal
CID 164864481
ethane;9-(methylamino)nonanal
CID 164864319
carbonic acid;2-(methylamino)ethanol
CID 87131288

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethanol;N-methyl-6-oxohexanamide?
The IUPAC name of 2-(methylamino)ethanol;N-methyl-6-oxohexanamide (CID 155596118) is 2-(methylamino)ethanol;N-methyl-6-oxohexanamide.
What is the SMILES notation for 2-(methylamino)ethanol;N-methyl-6-oxohexanamide?
The canonical SMILES for 2-(methylamino)ethanol;N-methyl-6-oxohexanamide is CNC(=O)CCCCC=O.CNCCO.
What is the InChIKey of 2-(methylamino)ethanol;N-methyl-6-oxohexanamide?
The InChIKey is KCPGPFILROKUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C3H9NO/c1-8-7(10)5-3-2-4-6-9;1-4-2-3-5/h6H,2-5H2,1H3,(H,8,10);4-5H,2-3H2,1H3.
What are the key properties of 2-(methylamino)ethanol;N-methyl-6-oxohexanamide?
2-(methylamino)ethanol;N-methyl-6-oxohexanamide has a molecular weight of 218.30 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethanol;N-methyl-6-oxohexanamide is sourced from PubChem (CID 155596118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).