3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide

C13H28N2O — CID 24977093

IUPAC3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide
SMILESCC(C(=O)N(C)C)C(C)N(C(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-9(2)15(10(3)4)12(6)11(5)13(16)14(7)8/h9-12H,1-8H3
InChIKeyGUKSIOQXHVHWKL-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.22
Rot. Bonds5

About 3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide

3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide (PubChem CID 24977093) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide
PubChem CID24977093
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide
SMILESCC(C(=O)N(C)C)C(C)N(C(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-9(2)15(10(3)4)12(6)11(5)13(16)14(7)8/h9-12H,1-8H3
InChIKeyGUKSIOQXHVHWKL-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide
CID 14930114
2-fluoro-N,N,3-trimethylbutanamide
CID 130964649
N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide
CID 174342776
2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane
CID 74892775
N,N-dimethyl-2-(propan-2-ylamino)propanamide
CID 43085810
4-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid;molecular iodine
CID 159697138
2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 103495830
(2S)-4-amino-2-hydroxy-N,N-dimethylbutanamide
CID 87476132
(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
CID 163858053
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate
CID 14241776
N,N,2-trimethyl-3-oxopentanamide
CID 11205913
2-[[1-(dimethylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetic acid
CID 60838093

Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide?
The IUPAC name of 3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide (CID 24977093) is 3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide.
What is the SMILES notation for 3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide?
The canonical SMILES for 3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide is CC(C(=O)N(C)C)C(C)N(C(C)C)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide?
The InChIKey is GUKSIOQXHVHWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-9(2)15(10(3)4)12(6)11(5)13(16)14(7)8/h9-12H,1-8H3.
What are the key properties of 3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide?
3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]-N,N,2-trimethylbutanamide is sourced from PubChem (CID 24977093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).