2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide

C10H22N2O2 — CID 81412798

IUPAC2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide
SMILESCCC(C)(CO)CNCC(=O)N(C)C
InChIInChI=1S/C10H22N2O2/c1-5-10(2,8-13)7-11-6-9(14)12(3)4/h11,13H,5-8H2,1-4H3
InChIKeyRVEBRWXQSIVPJH-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.07
Rot. Bonds6

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

2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide (PubChem CID 81412798) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide
PubChem CID81412798
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide
SMILESCCC(C)(CO)CNCC(=O)N(C)C
InChIInChI=1S/C10H22N2O2/c1-5-10(2,8-13)7-11-6-9(14)12(3)4/h11,13H,5-8H2,1-4H3
InChIKeyRVEBRWXQSIVPJH-UHFFFAOYSA-N
XLogP0.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide (CID 81412798) is 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide is CCC(C)(CO)CNCC(=O)N(C)C.
What is the InChIKey of 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide?
The InChIKey is RVEBRWXQSIVPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-10(2,8-13)7-11-6-9(14)12(3)4/h11,13H,5-8H2,1-4H3.
What are the key properties of 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide?
2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide has a molecular weight of 202.30 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 81412798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).