3-(tert-butylamino)-1-propan-2-yloxypentan-2-one

C12H25NO2 — CID 134460862

IUPAC3-(tert-butylamino)-1-propan-2-yloxypentan-2-one
SMILESCCC(NC(C)(C)C)C(=O)COC(C)C
InChIInChI=1S/C12H25NO2/c1-7-10(13-12(4,5)6)11(14)8-15-9(2)3/h9-10,13H,7-8H2,1-6H3
InChIKeyPIDBVANYWBVERB-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.15
Rot. Bonds6

About 3-(tert-butylamino)-1-propan-2-yloxypentan-2-one

3-(tert-butylamino)-1-propan-2-yloxypentan-2-one (PubChem CID 134460862) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-propan-2-yloxypentan-2-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-propan-2-yloxypentan-2-one
PubChem CID134460862
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-(tert-butylamino)-1-propan-2-yloxypentan-2-one
SMILESCCC(NC(C)(C)C)C(=O)COC(C)C
InChIInChI=1S/C12H25NO2/c1-7-10(13-12(4,5)6)11(14)8-15-9(2)3/h9-10,13H,7-8H2,1-6H3
InChIKeyPIDBVANYWBVERB-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)pentan-2-one
CID 123205051
3-methoxy-1-propan-2-yloxypentan-2-one
CID 116707377
(4R)-4-(tert-butylamino)-6-methylheptan-3-one
CID 88965299
3,3-dimethyl-1-propan-2-yloxybutan-2-one
CID 43798828
3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one
CID 167150248
(2S)-2-(tert-butylamino)-1-hydroxypentan-3-one
CID 89135586
propan-2-yl 2,3-bis(tert-butylamino)propanoate
CID 3030822
N-(3,3-dimethylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 115622733
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate
CID 104827622
tert-butyl 3-oxo-4-propan-2-yloxybutanoate
CID 57444543
3-(tert-butylamino)-4-oxohexanamide
CID 89253656

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-propan-2-yloxypentan-2-one?
The IUPAC name of 3-(tert-butylamino)-1-propan-2-yloxypentan-2-one (CID 134460862) is 3-(tert-butylamino)-1-propan-2-yloxypentan-2-one.
What is the SMILES notation for 3-(tert-butylamino)-1-propan-2-yloxypentan-2-one?
The canonical SMILES for 3-(tert-butylamino)-1-propan-2-yloxypentan-2-one is CCC(NC(C)(C)C)C(=O)COC(C)C.
What is the InChIKey of 3-(tert-butylamino)-1-propan-2-yloxypentan-2-one?
The InChIKey is PIDBVANYWBVERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-10(13-12(4,5)6)11(14)8-15-9(2)3/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 3-(tert-butylamino)-1-propan-2-yloxypentan-2-one?
3-(tert-butylamino)-1-propan-2-yloxypentan-2-one has a molecular weight of 215.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-propan-2-yloxypentan-2-one is sourced from PubChem (CID 134460862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).