N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide

C11H24N2O — CID 59184455

IUPACN-[(tert-butylamino)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCNC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-10(2,3)7-9(14)12-8-13-11(4,5)6/h13H,7-8H2,1-6H3,(H,12,14)
InChIKeyJJRHSWSWMGLWCT-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.88
Rot. Bonds3

About N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide

N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide (PubChem CID 59184455) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(tert-butylamino)methyl]-3,3-dimethylbutanamide
PubChem CID59184455
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[(tert-butylamino)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCNC(C)(C)C
InChIInChI=1S/C11H24N2O/c1-10(2,3)7-9(14)12-8-13-11(4,5)6/h13H,7-8H2,1-6H3,(H,12,14)
InChIKeyJJRHSWSWMGLWCT-UHFFFAOYSA-N
XLogP1.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
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

N-[(tert-butylamino)methyl]-2-hydroxyacetamide
CID 14638328
ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
CID 148872040
N'-tert-butyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]butanediamide
CID 134443497
3,3-dimethyl-N-(2-oxobutyl)butanamide
CID 149102417
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
CID 155613017
N-acetyl-3,3-dimethylbutanamide
CID 59565837
N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
CID 142322932
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 110902978
N-(6-iodohexyl)-3,3-dimethylbutanamide
CID 107848022
N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
CID 107156617

Frequently Asked Questions

What is the IUPAC name of N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide (CID 59184455) is N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCNC(C)(C)C.
What is the InChIKey of N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide?
The InChIKey is JJRHSWSWMGLWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2,3)7-9(14)12-8-13-11(4,5)6/h13H,7-8H2,1-6H3,(H,12,14).
What are the key properties of N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide?
N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide has a molecular weight of 200.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 59184455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).