4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one

C16H34N2O — CID 20750405

IUPAC4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one
SMILESCN(C)CCCCC(NC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-15(2,3)14(19)13(17-16(4,5)6)11-9-10-12-18(7)8/h13,17H,9-12H2,1-8H3
InChIKeyVNTMEZWRISJASC-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.09
Rot. Bonds7

About 4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one

4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one (PubChem CID 20750405) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one.

Molecular Properties

Compound Name4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one
PubChem CID20750405
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one
SMILESCN(C)CCCCC(NC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-15(2,3)14(19)13(17-16(4,5)6)11-9-10-12-18(7)8/h13,17H,9-12H2,1-8H3
InChIKeyVNTMEZWRISJASC-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one?
The IUPAC name of 4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one (CID 20750405) is 4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one.
What is the SMILES notation for 4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one?
The canonical SMILES for 4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one is CN(C)CCCCC(NC(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one?
The InChIKey is VNTMEZWRISJASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-15(2,3)14(19)13(17-16(4,5)6)11-9-10-12-18(7)8/h13,17H,9-12H2,1-8H3.
What are the key properties of 4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one?
4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one has a molecular weight of 270.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-8-(dimethylamino)-2,2-dimethyloctan-3-one is sourced from PubChem (CID 20750405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).