2-[3,3-dimethylbutyl(methyl)amino]acetamide

C9H20N2O — CID 20792964

IUPAC2-[3,3-dimethylbutyl(methyl)amino]acetamide
SMILESCN(CCC(C)(C)C)CC(N)=O
InChIInChI=1S/C9H20N2O/c1-9(2,3)5-6-11(4)7-8(10)12/h5-7H2,1-4H3,(H2,10,12)
InChIKeyDVQICXFXHPEVIH-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.84
Rot. Bonds4

About 2-[3,3-dimethylbutyl(methyl)amino]acetamide

2-[3,3-dimethylbutyl(methyl)amino]acetamide (PubChem CID 20792964) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[3,3-dimethylbutyl(methyl)amino]acetamide.

Molecular Properties

Compound Name2-[3,3-dimethylbutyl(methyl)amino]acetamide
PubChem CID20792964
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[3,3-dimethylbutyl(methyl)amino]acetamide
SMILESCN(CCC(C)(C)C)CC(N)=O
InChIInChI=1S/C9H20N2O/c1-9(2,3)5-6-11(4)7-8(10)12/h5-7H2,1-4H3,(H2,10,12)
InChIKeyDVQICXFXHPEVIH-UHFFFAOYSA-N
XLogP0.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutyl(methyl)amino]acetamide?
The IUPAC name of 2-[3,3-dimethylbutyl(methyl)amino]acetamide (CID 20792964) is 2-[3,3-dimethylbutyl(methyl)amino]acetamide.
What is the SMILES notation for 2-[3,3-dimethylbutyl(methyl)amino]acetamide?
The canonical SMILES for 2-[3,3-dimethylbutyl(methyl)amino]acetamide is CN(CCC(C)(C)C)CC(N)=O.
What is the InChIKey of 2-[3,3-dimethylbutyl(methyl)amino]acetamide?
The InChIKey is DVQICXFXHPEVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,3)5-6-11(4)7-8(10)12/h5-7H2,1-4H3,(H2,10,12).
What are the key properties of 2-[3,3-dimethylbutyl(methyl)amino]acetamide?
2-[3,3-dimethylbutyl(methyl)amino]acetamide has a molecular weight of 172.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutyl(methyl)amino]acetamide is sourced from PubChem (CID 20792964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).