2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide

C13H28N2O — CID 119820265

IUPAC2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide
SMILESCNCC(C)C(=O)NCC(C)(C)CC(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)7-13(4,5)9-15-12(16)11(3)8-14-6/h10-11,14H,7-9H2,1-6H3,(H,15,16)
InChIKeyFVEWUFYGHWIFGY-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.03
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide

2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide (PubChem CID 119820265) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide
PubChem CID119820265
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide
SMILESCNCC(C)C(=O)NCC(C)(C)CC(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)7-13(4,5)9-15-12(16)11(3)8-14-6/h10-11,14H,7-9H2,1-6H3,(H,15,16)
InChIKeyFVEWUFYGHWIFGY-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
CID 119344448
2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820253
2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
CID 115190376
N-(2-hydroxy-2-methylpentyl)-2-methyl-3-(methylamino)propanamide
CID 106292285
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068
methyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
CID 115142651
N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide
CID 119775757
tert-butyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
CID 115141799
4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
CID 115163175
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756947
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119863449
ethyl 2-oxo-2-(2,2,4-trimethylpentylamino)acetate
CID 115142114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide (CID 119820265) is 2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide is CNCC(C)C(=O)NCC(C)(C)CC(C)C.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide?
The InChIKey is FVEWUFYGHWIFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)7-13(4,5)9-15-12(16)11(3)8-14-6/h10-11,14H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide?
2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(2,2,4-trimethylpentyl)propanamide is sourced from PubChem (CID 119820265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).