3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide

C13H28N2O — CID 60850241

IUPAC3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(C)C(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-11(2)10-15(6)12(16)8-9-14-13(3,4)5/h11,14H,7-10H2,1-6H3
InChIKeyLOYSZYDHJVHLPZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds6

About 3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide

3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide (PubChem CID 60850241) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide
PubChem CID60850241
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(C)C(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-11(2)10-15(6)12(16)8-9-14-13(3,4)5/h11,14H,7-10H2,1-6H3
InChIKeyLOYSZYDHJVHLPZ-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-(tert-butylamino)-N-methylpropanamide
CID 60849883
N-methyl-N-(2-methylbutyl)butanamide
CID 21263621
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100
3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide
CID 63680154
2-ethoxy-N-methyl-N-(2-methylbutyl)acetamide
CID 63940982
3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377535
N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 60945491
3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
CID 61042831
N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
CID 60937133
2-(tert-butylamino)-N-(2,2-dihydroxyethyl)-N-methylacetamide
CID 170154459
3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60936867

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide (CID 60850241) is 3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide is CCC(C)CN(C)C(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide?
The InChIKey is LOYSZYDHJVHLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-11(2)10-15(6)12(16)8-9-14-13(3,4)5/h11,14H,7-10H2,1-6H3.
What are the key properties of 3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide?
3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide is sourced from PubChem (CID 60850241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).