N-[[tert-butyl(methyl)amino]methyl]acetamide

C8H18N2O — CID 59035118

IUPACN-[[tert-butyl(methyl)amino]methyl]acetamide
SMILESCC(=O)NCN(C)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-7(11)9-6-10(5)8(2,3)4/h6H2,1-5H3,(H,9,11)
InChIKeyCLGYJGAQXYGNIO-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.81
Rot. Bonds2

About N-[[tert-butyl(methyl)amino]methyl]acetamide

N-[[tert-butyl(methyl)amino]methyl]acetamide (PubChem CID 59035118) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-[[tert-butyl(methyl)amino]methyl]acetamide.

Molecular Properties

Compound NameN-[[tert-butyl(methyl)amino]methyl]acetamide
PubChem CID59035118
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-[[tert-butyl(methyl)amino]methyl]acetamide
SMILESCC(=O)NCN(C)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-7(11)9-6-10(5)8(2,3)4/h6H2,1-5H3,(H,9,11)
InChIKeyCLGYJGAQXYGNIO-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Acetamide, N-((dimethylamino)methyl)-
CID 96002
Bis(acetamidomethyl)-dimethylazanium
CID 12719364
Acetamidomethyl-ethyl-dimethylazanium
CID 18335916
Acetamidomethyl(trimethyl)azanium
CID 18711576
N-[[methyl(propanoyl)amino]methyl]propanamide
CID 20671552
(Acetylazaniumyl)methyl-trimethylazanium
CID 21362038
N-[[methyl(propan-2-yl)amino]methyl]acetamide
CID 22889058
Trimethyl-[(2-methylpropanoylamino)methyl]azanium
CID 22891744
N-[(dimethylamino)methyl]-2-methylpropanamide
CID 22954156
[CH3C(O)N(H)CH2]2NC(O)CH3
CID 23599706
N-(tert-butylcarbamoyl)-N-methylacetamide
CID 57298614
1,3-Ditert-butyl-1-methylurea
CID 57722030

Frequently Asked Questions

What is the IUPAC name of N-[[tert-butyl(methyl)amino]methyl]acetamide?
The IUPAC name of N-[[tert-butyl(methyl)amino]methyl]acetamide (CID 59035118) is N-[[tert-butyl(methyl)amino]methyl]acetamide.
What is the SMILES notation for N-[[tert-butyl(methyl)amino]methyl]acetamide?
The canonical SMILES for N-[[tert-butyl(methyl)amino]methyl]acetamide is CC(=O)NCN(C)C(C)(C)C.
What is the InChIKey of N-[[tert-butyl(methyl)amino]methyl]acetamide?
The InChIKey is CLGYJGAQXYGNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(11)9-6-10(5)8(2,3)4/h6H2,1-5H3,(H,9,11).
What are the key properties of N-[[tert-butyl(methyl)amino]methyl]acetamide?
N-[[tert-butyl(methyl)amino]methyl]acetamide has a molecular weight of 158.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[tert-butyl(methyl)amino]methyl]acetamide is sourced from PubChem (CID 59035118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).