3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide

C13H28N2O — CID 103461615

IUPAC3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
SMILESCCC(C)(C)CNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H28N2O/c1-8-11(2,3)9-15-10(16)12(4,5)13(6,7)14/h8-9,14H2,1-7H3,(H,15,16)
InChIKeyLGZDVXMCGGBPOB-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds5

About 3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide

3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide (PubChem CID 103461615) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
PubChem CID103461615
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
SMILESCCC(C)(C)CNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H28N2O/c1-8-11(2,3)9-15-10(16)12(4,5)13(6,7)14/h8-9,14H2,1-7H3,(H,15,16)
InChIKeyLGZDVXMCGGBPOB-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

2-amino-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461588
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2,3-trimethylbutanamide
CID 114167258
2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide
CID 103461803
2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
CID 103461801
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
CID 65267148
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide
CID 106140383
2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461706
2-amino-2-ethyl-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 106147988
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
3-amino-N-methoxy-2,2,3-trimethylbutanamide
CID 65267021
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
CID 65264682

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide (CID 103461615) is 3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide is CCC(C)(C)CNC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide?
The InChIKey is LGZDVXMCGGBPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-8-11(2,3)9-15-10(16)12(4,5)13(6,7)14/h8-9,14H2,1-7H3,(H,15,16).
What are the key properties of 3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide?
3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide 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 3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 103461615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).