2-methyl-6-(methylamino)hex-1-en-1-one

C8H15NO — CID 129043688

IUPAC2-methyl-6-(methylamino)hex-1-en-1-one
SMILESCNCCCCC(C)=C=O
InChIInChI=1S/C8H15NO/c1-8(7-10)5-3-4-6-9-2/h9H,3-6H2,1-2H3
InChIKeyUOVVJIVYFJUFCZ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.15
Rot. Bonds5

About 2-methyl-6-(methylamino)hex-1-en-1-one

2-methyl-6-(methylamino)hex-1-en-1-one (PubChem CID 129043688) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-6-(methylamino)hex-1-en-1-one.

Molecular Properties

Compound Name2-methyl-6-(methylamino)hex-1-en-1-one
PubChem CID129043688
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-6-(methylamino)hex-1-en-1-one
SMILESCNCCCCC(C)=C=O
InChIInChI=1S/C8H15NO/c1-8(7-10)5-3-4-6-9-2/h9H,3-6H2,1-2H3
InChIKeyUOVVJIVYFJUFCZ-UHFFFAOYSA-N
XLogP1.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

13-(methylamino)tridecan-2-one
CID 23382037
5-methyl-6-oxohex-5-ene-1-sulfonic acid
CID 57302736
ethane;7-(methylamino)heptan-2-one
CID 176694896
5-(methylamino)pentanoic acid
CID 91583432
6-(methylamino)hexanoic acid
CID 4989372
ethane;5-(methylamino)pentanoic acid
CID 178043439
methane;12-(methylamino)dodecan-2-one;propane
CID 158218512
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463
7-(methylamino)heptan-2-one;1-(methylamino)propan-2-one;tetradecane-2,13-dione
CID 123967487
N-methyl-11-(methylamino)undecanamide
CID 59809097
CID 171563781
CID 171563781
4-dimethylarsanyl-N-methylbutan-1-amine
CID 175378808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylamino)hex-1-en-1-one?
The IUPAC name of 2-methyl-6-(methylamino)hex-1-en-1-one (CID 129043688) is 2-methyl-6-(methylamino)hex-1-en-1-one.
What is the SMILES notation for 2-methyl-6-(methylamino)hex-1-en-1-one?
The canonical SMILES for 2-methyl-6-(methylamino)hex-1-en-1-one is CNCCCCC(C)=C=O.
What is the InChIKey of 2-methyl-6-(methylamino)hex-1-en-1-one?
The InChIKey is UOVVJIVYFJUFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(7-10)5-3-4-6-9-2/h9H,3-6H2,1-2H3.
What are the key properties of 2-methyl-6-(methylamino)hex-1-en-1-one?
2-methyl-6-(methylamino)hex-1-en-1-one has a molecular weight of 141.21 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylamino)hex-1-en-1-one is sourced from PubChem (CID 129043688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).