N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide

C13H28N2O — CID 4635091

IUPACN-[3-(diethylamino)propyl]-2,2-dimethylbutanamide
SMILESCCN(CC)CCCNC(=O)C(C)(C)CC
InChIInChI=1S/C13H28N2O/c1-6-13(4,5)12(16)14-10-9-11-15(7-2)8-3/h6-11H2,1-5H3,(H,14,16)
InChIKeyFPYBSSWPIIFNJG-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide

N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide (PubChem CID 4635091) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2,2-dimethylbutanamide
PubChem CID4635091
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[3-(diethylamino)propyl]-2,2-dimethylbutanamide
SMILESCCN(CC)CCCNC(=O)C(C)(C)CC
InChIInChI=1S/C13H28N2O/c1-6-13(4,5)12(16)14-10-9-11-15(7-2)8-3/h6-11H2,1-5H3,(H,14,16)
InChIKeyFPYBSSWPIIFNJG-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
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 N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide (CID 4635091) is N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide is CCN(CC)CCCNC(=O)C(C)(C)CC.
What is the InChIKey of N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide?
The InChIKey is FPYBSSWPIIFNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-13(4,5)12(16)14-10-9-11-15(7-2)8-3/h6-11H2,1-5H3,(H,14,16).
What are the key properties of N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide?
N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 4635091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).