2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide

C11H24N2O2 — CID 81412872

IUPAC2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide
SMILESCCC(CC)(CO)CNCC(=O)N(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(6-2,9-14)8-12-7-10(15)13(3)4/h12,14H,5-9H2,1-4H3
InChIKeyXJWDBZUQWIMQGP-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.46
Rot. Bonds7

About 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide

2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide (PubChem CID 81412872) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide
PubChem CID81412872
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide
SMILESCCC(CC)(CO)CNCC(=O)N(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(6-2,9-14)8-12-7-10(15)13(3)4/h12,14H,5-9H2,1-4H3
InChIKeyXJWDBZUQWIMQGP-UHFFFAOYSA-N
XLogP0.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide (CID 81412872) is 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide is CCC(CC)(CO)CNCC(=O)N(C)C.
What is the InChIKey of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide?
The InChIKey is XJWDBZUQWIMQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-11(6-2,9-14)8-12-7-10(15)13(3)4/h12,14H,5-9H2,1-4H3.
What are the key properties of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide?
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide has a molecular weight of 216.32 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 81412872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).