2-(3,3-dimethylbutylamino)acetamide

C8H18N2O — CID 60695662

IUPAC2-(3,3-dimethylbutylamino)acetamide
SMILESCC(C)(C)CCNCC(N)=O
InChIInChI=1S/C8H18N2O/c1-8(2,3)4-5-10-6-7(9)11/h10H,4-6H2,1-3H3,(H2,9,11)
InChIKeyLIYLOTRDCIWQIR-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.50
Rot. Bonds4

About 2-(3,3-dimethylbutylamino)acetamide

2-(3,3-dimethylbutylamino)acetamide (PubChem CID 60695662) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylamino)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutylamino)acetamide
PubChem CID60695662
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-(3,3-dimethylbutylamino)acetamide
SMILESCC(C)(C)CCNCC(N)=O
InChIInChI=1S/C8H18N2O/c1-8(2,3)4-5-10-6-7(9)11/h10H,4-6H2,1-3H3,(H2,9,11)
InChIKeyLIYLOTRDCIWQIR-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutylamino)acetamide?
The IUPAC name of 2-(3,3-dimethylbutylamino)acetamide (CID 60695662) is 2-(3,3-dimethylbutylamino)acetamide.
What is the SMILES notation for 2-(3,3-dimethylbutylamino)acetamide?
The canonical SMILES for 2-(3,3-dimethylbutylamino)acetamide is CC(C)(C)CCNCC(N)=O.
What is the InChIKey of 2-(3,3-dimethylbutylamino)acetamide?
The InChIKey is LIYLOTRDCIWQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,3)4-5-10-6-7(9)11/h10H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of 2-(3,3-dimethylbutylamino)acetamide?
2-(3,3-dimethylbutylamino)acetamide has a molecular weight of 158.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylamino)acetamide is sourced from PubChem (CID 60695662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).