6-(tert-butylamino)-2-methylhexan-3-one

C11H23NO — CID 58002890

IUPAC6-(tert-butylamino)-2-methylhexan-3-one
SMILESCC(C)C(=O)CCCNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(2)10(13)7-6-8-12-11(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeyOQEJSEHFEZXYIU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.38
Rot. Bonds5

About 6-(tert-butylamino)-2-methylhexan-3-one

6-(tert-butylamino)-2-methylhexan-3-one (PubChem CID 58002890) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-(tert-butylamino)-2-methylhexan-3-one.

Molecular Properties

Compound Name6-(tert-butylamino)-2-methylhexan-3-one
PubChem CID58002890
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-(tert-butylamino)-2-methylhexan-3-one
SMILESCC(C)C(=O)CCCNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(2)10(13)7-6-8-12-11(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeyOQEJSEHFEZXYIU-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-butylamino)butanoyl iodide
CID 126602770
1-[2-[2-(tert-butylamino)ethoxy]ethoxy]-3-methylbutan-2-one
CID 138460886
8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide
CID 158566536
8-(tert-butylamino)-2,2-dimethyloctan-3-one
CID 58895617
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
1-(tert-butylamino)-5-methylhexan-3-one
CID 116557850
14-(tert-butylamino)-2,2-dimethyltetradecan-3-one
CID 58895700
6-bromo-2-methylhexan-3-one
CID 12643721
2-methylheptan-3-one;hydrate
CID 176897102
1-phenylethyl 4-(tert-butylamino)butanoate
CID 160511213
2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one
CID 176576809
(6-methyl-5-oxoheptyl)carbamothioic S-acid
CID 138728799

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-2-methylhexan-3-one?
The IUPAC name of 6-(tert-butylamino)-2-methylhexan-3-one (CID 58002890) is 6-(tert-butylamino)-2-methylhexan-3-one.
What is the SMILES notation for 6-(tert-butylamino)-2-methylhexan-3-one?
The canonical SMILES for 6-(tert-butylamino)-2-methylhexan-3-one is CC(C)C(=O)CCCNC(C)(C)C.
What is the InChIKey of 6-(tert-butylamino)-2-methylhexan-3-one?
The InChIKey is OQEJSEHFEZXYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)10(13)7-6-8-12-11(3,4)5/h9,12H,6-8H2,1-5H3.
What are the key properties of 6-(tert-butylamino)-2-methylhexan-3-one?
6-(tert-butylamino)-2-methylhexan-3-one has a molecular weight of 185.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-2-methylhexan-3-one is sourced from PubChem (CID 58002890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).