1-(tert-butylamino)-5-methylhexan-3-one

C11H23NO — CID 116557850

IUPAC1-(tert-butylamino)-5-methylhexan-3-one
SMILESCC(C)CC(=O)CCNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(2)8-10(13)6-7-12-11(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeyMYZNSPKNIPVTQF-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.38
Rot. Bonds5

About 1-(tert-butylamino)-5-methylhexan-3-one

1-(tert-butylamino)-5-methylhexan-3-one (PubChem CID 116557850) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(tert-butylamino)-5-methylhexan-3-one.

Molecular Properties

Compound Name1-(tert-butylamino)-5-methylhexan-3-one
PubChem CID116557850
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(tert-butylamino)-5-methylhexan-3-one
SMILESCC(C)CC(=O)CCNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(2)8-10(13)6-7-12-11(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeyMYZNSPKNIPVTQF-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

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Related Compounds

2,7,7-trimethyloctan-4-one
CID 62619842
1-(tert-butylamino)hex-5-yn-3-one
CID 116557807
chloromethane;2,6-dimethylheptan-4-one
CID 174654113
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
6-(tert-butylamino)-2-methylhexan-3-one
CID 58002890
(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid
CID 78975548
2-[3-(tert-butylamino)propanoylamino]propanamide
CID 60850067
3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
CID 64599712
N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide
CID 60849883
N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide
CID 158833418
bis(2,2,7-trimethyloctane-3,5-dione);zinc
CID 159095864
(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-5-methylhexan-3-one?
The IUPAC name of 1-(tert-butylamino)-5-methylhexan-3-one (CID 116557850) is 1-(tert-butylamino)-5-methylhexan-3-one.
What is the SMILES notation for 1-(tert-butylamino)-5-methylhexan-3-one?
The canonical SMILES for 1-(tert-butylamino)-5-methylhexan-3-one is CC(C)CC(=O)CCNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-5-methylhexan-3-one?
The InChIKey is MYZNSPKNIPVTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)8-10(13)6-7-12-11(3,4)5/h9,12H,6-8H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-5-methylhexan-3-one?
1-(tert-butylamino)-5-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 1-(tert-butylamino)-5-methylhexan-3-one is sourced from PubChem (CID 116557850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).