N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide

C13H28N2O — CID 115303265

IUPACN-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCC(C)(C)N)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(8-12(2,3)4)7-11(16)15-9-13(5,6)14/h10H,7-9,14H2,1-6H3,(H,15,16)
InChIKeyMZLLOKGIVXKXET-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide

N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide (PubChem CID 115303265) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
PubChem CID115303265
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCC(C)(C)N)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(8-12(2,3)4)7-11(16)15-9-13(5,6)14/h10H,7-9,14H2,1-6H3,(H,15,16)
InChIKeyMZLLOKGIVXKXET-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5,5-trimethylhexanehydrazide
CID 142619235
3-hydroxy-3-methyl-4-(3,5,5-trimethylhexanoylamino)butanoic acid
CID 66001344
N-(3-aminobutyl)-3,5,5-trimethylhexanamide
CID 63253495
N-(2-chloroethyl)-3,5,5-trimethylhexanamide
CID 61286860
N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide
CID 113430451
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide
CID 66006223
N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide
CID 60917827
N-(3-azidopropyl)-3,5,5-trimethylhexanamide
CID 61344869
N-(3-cyanopropyl)-3,5,5-trimethylhexanamide
CID 62666428
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide
CID 103970115
3,5,5-trimethyl-N-(3-oxobutan-2-yl)hexanamide
CID 64997307

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide (CID 115303265) is N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide is CC(CC(=O)NCC(C)(C)N)CC(C)(C)C.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide?
The InChIKey is MZLLOKGIVXKXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(8-12(2,3)4)7-11(16)15-9-13(5,6)14/h10H,7-9,14H2,1-6H3,(H,15,16).
What are the key properties of N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide?
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 115303265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).