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

C14H29NO — CID 58895617

IUPAC8-(tert-butylamino)-2,2-dimethyloctan-3-one
SMILESCC(C)(C)NCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)12(16)10-8-7-9-11-15-14(4,5)6/h15H,7-11H2,1-6H3
InChIKeyKJSHXRVKAWPGMD-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.55
Rot. Bonds6

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

8-(tert-butylamino)-2,2-dimethyloctan-3-one (PubChem CID 58895617) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 8-(tert-butylamino)-2,2-dimethyloctan-3-one.

Molecular Properties

Compound Name8-(tert-butylamino)-2,2-dimethyloctan-3-one
PubChem CID58895617
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name8-(tert-butylamino)-2,2-dimethyloctan-3-one
SMILESCC(C)(C)NCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)12(16)10-8-7-9-11-15-14(4,5)6/h15H,7-11H2,1-6H3
InChIKeyKJSHXRVKAWPGMD-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.55
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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Related Compounds

14-(tert-butylamino)-2,2-dimethyltetradecan-3-one
CID 58895700
N-tert-butyl-11,11-dimethyl-10-oxododecanamide
CID 176809093
17,17-dimethyl-16-oxooctadecanoic acid
CID 139546409
1-[2-(tert-butylamino)ethyldisulfanyl]-4,4-dimethylpentan-3-one
CID 118887193
2,2-dimethylpropyl 6-(tert-butylamino)hexanoate
CID 90364505
1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 59078266
12-(tert-butylamino)dodecan-1-ol
CID 159274393
N,7,7-trimethyl-6-oxooctanamide
CID 149454970
N-[4-(tert-butylamino)butyl]acetamide
CID 139573721
4-(tert-butylamino)butanoyl iodide
CID 126602770
methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine
CID 158558331
1-iodo-10,10-dimethylundecane-2,9-dione
CID 157286345

Frequently Asked Questions

What is the IUPAC name of 8-(tert-butylamino)-2,2-dimethyloctan-3-one?
The IUPAC name of 8-(tert-butylamino)-2,2-dimethyloctan-3-one (CID 58895617) is 8-(tert-butylamino)-2,2-dimethyloctan-3-one.
What is the SMILES notation for 8-(tert-butylamino)-2,2-dimethyloctan-3-one?
The canonical SMILES for 8-(tert-butylamino)-2,2-dimethyloctan-3-one is CC(C)(C)NCCCCCC(=O)C(C)(C)C.
What is the InChIKey of 8-(tert-butylamino)-2,2-dimethyloctan-3-one?
The InChIKey is KJSHXRVKAWPGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)12(16)10-8-7-9-11-15-14(4,5)6/h15H,7-11H2,1-6H3.
What are the key properties of 8-(tert-butylamino)-2,2-dimethyloctan-3-one?
8-(tert-butylamino)-2,2-dimethyloctan-3-one has a molecular weight of 227.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(tert-butylamino)-2,2-dimethyloctan-3-one is sourced from PubChem (CID 58895617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).