4-(tert-butylamino)-2,2,6-trimethyloctan-3-one

C15H31NO — CID 20750290

IUPAC4-(tert-butylamino)-2,2,6-trimethyloctan-3-one
SMILESCCC(C)CC(NC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-9-11(2)10-12(16-15(6,7)8)13(17)14(3,4)5/h11-12,16H,9-10H2,1-8H3
InChIKeyAAWMAAMMBPWZCZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.79
Rot. Bonds5

About 4-(tert-butylamino)-2,2,6-trimethyloctan-3-one

4-(tert-butylamino)-2,2,6-trimethyloctan-3-one (PubChem CID 20750290) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-(tert-butylamino)-2,2,6-trimethyloctan-3-one.

Molecular Properties

Compound Name4-(tert-butylamino)-2,2,6-trimethyloctan-3-one
PubChem CID20750290
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-(tert-butylamino)-2,2,6-trimethyloctan-3-one
SMILESCCC(C)CC(NC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-9-11(2)10-12(16-15(6,7)8)13(17)14(3,4)5/h11-12,16H,9-10H2,1-8H3
InChIKeyAAWMAAMMBPWZCZ-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2,2,6-trimethyloctan-3-one?
The IUPAC name of 4-(tert-butylamino)-2,2,6-trimethyloctan-3-one (CID 20750290) is 4-(tert-butylamino)-2,2,6-trimethyloctan-3-one.
What is the SMILES notation for 4-(tert-butylamino)-2,2,6-trimethyloctan-3-one?
The canonical SMILES for 4-(tert-butylamino)-2,2,6-trimethyloctan-3-one is CCC(C)CC(NC(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 4-(tert-butylamino)-2,2,6-trimethyloctan-3-one?
The InChIKey is AAWMAAMMBPWZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-9-11(2)10-12(16-15(6,7)8)13(17)14(3,4)5/h11-12,16H,9-10H2,1-8H3.
What are the key properties of 4-(tert-butylamino)-2,2,6-trimethyloctan-3-one?
4-(tert-butylamino)-2,2,6-trimethyloctan-3-one has a molecular weight of 241.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2,2,6-trimethyloctan-3-one is sourced from PubChem (CID 20750290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).