4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide

C13H28N2O — CID 115156508

IUPAC4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide
SMILESCC(CN)CC(=O)NCC(C)(C)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(8-14)7-11(16)15-9-13(5,6)12(2,3)4/h10H,7-9,14H2,1-6H3,(H,15,16)
InChIKeyUZPGYOQWCXUIIA-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.16
Rot. Bonds5

About 4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide

4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide (PubChem CID 115156508) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide
PubChem CID115156508
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide
SMILESCC(CN)CC(=O)NCC(C)(C)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(8-14)7-11(16)15-9-13(5,6)12(2,3)4/h10H,7-9,14H2,1-6H3,(H,15,16)
InChIKeyUZPGYOQWCXUIIA-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 81079399
4-amino-N-(2-cyclohexyl-2-methylpropyl)-3-methylbutanamide
CID 115156526
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
4-amino-3-methyl-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]butanamide
CID 115156513
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
4-amino-3-methyl-N-prop-2-ynylbutanamide
CID 81070639
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
CID 81080321
2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
CID 115198913
2-(methylamino)-N-(2,2,3,3-tetramethylbutyl)acetamide
CID 115152153
4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide
CID 115739206

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide (CID 115156508) is 4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide is CC(CN)CC(=O)NCC(C)(C)C(C)(C)C.
What is the InChIKey of 4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide?
The InChIKey is UZPGYOQWCXUIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(8-14)7-11(16)15-9-13(5,6)12(2,3)4/h10H,7-9,14H2,1-6H3,(H,15,16).
What are the key properties of 4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide?
4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide has a molecular weight of 228.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide is sourced from PubChem (CID 115156508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).