tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate

C13H28N2O2 — CID 54958485

IUPACtert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate
SMILESCC(C)C(CN(C)C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)11(9-15(6)7)14-8-12(16)17-13(3,4)5/h10-11,14H,8-9H2,1-7H3
InChIKeyNLDLGCUUMHFHHP-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.50
Rot. Bonds6

About tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate

tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate (PubChem CID 54958485) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate
PubChem CID54958485
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate
SMILESCC(C)C(CN(C)C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)11(9-15(6)7)14-8-12(16)17-13(3,4)5/h10-11,14H,8-9H2,1-7H3
InChIKeyNLDLGCUUMHFHHP-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-methylacetamide
CID 61480071
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673
tert-butyl 2-(but-3-yn-2-ylamino)acetate
CID 114416604
methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912
2-amino-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propanamide
CID 103245104
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 54956919
tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829
tert-butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 20684895
tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate
CID 80560744
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958
tert-butyl 3-[4-(dimethylamino)butan-2-ylamino]propanoate
CID 104864475
tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
CID 62641218

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate?
The IUPAC name of tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate (CID 54958485) is tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate is CC(C)C(CN(C)C)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate?
The InChIKey is NLDLGCUUMHFHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)11(9-15(6)7)14-8-12(16)17-13(3,4)5/h10-11,14H,8-9H2,1-7H3.
What are the key properties of tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate?
tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate has a molecular weight of 244.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate is sourced from PubChem (CID 54958485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).