1-(tert-butylamino)-4,4-dimethylpentan-2-one

C11H23NO — CID 2063732

IUPAC1-(tert-butylamino)-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)CNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)7-9(13)8-12-11(4,5)6/h12H,7-8H2,1-6H3
InChIKeyAISCFAXFBTVNQG-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.38
Rot. Bonds3

About 1-(tert-butylamino)-4,4-dimethylpentan-2-one

1-(tert-butylamino)-4,4-dimethylpentan-2-one (PubChem CID 2063732) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(tert-butylamino)-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-(tert-butylamino)-4,4-dimethylpentan-2-one
PubChem CID2063732
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(tert-butylamino)-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)CNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)7-9(13)8-12-11(4,5)6/h12H,7-8H2,1-6H3
InChIKeyAISCFAXFBTVNQG-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-4,4-dimethylpentan-2-one?
The IUPAC name of 1-(tert-butylamino)-4,4-dimethylpentan-2-one (CID 2063732) is 1-(tert-butylamino)-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-(tert-butylamino)-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-(tert-butylamino)-4,4-dimethylpentan-2-one is CC(C)(C)CC(=O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-4,4-dimethylpentan-2-one?
The InChIKey is AISCFAXFBTVNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)7-9(13)8-12-11(4,5)6/h12H,7-8H2,1-6H3.
What are the key properties of 1-(tert-butylamino)-4,4-dimethylpentan-2-one?
1-(tert-butylamino)-4,4-dimethylpentan-2-one has a molecular weight of 185.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-4,4-dimethylpentan-2-one is sourced from PubChem (CID 2063732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).