4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one

C12H25NO — CID 20603980

IUPAC4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one
SMILESCC(C(=O)C(C)(C)C)N(C)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-9(10(14)11(2,3)4)13(8)12(5,6)7/h9H,1-8H3
InChIKeyPFYABAPMBLCVNN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds2

About 4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one

4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one (PubChem CID 20603980) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one.

Molecular Properties

Compound Name4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one
PubChem CID20603980
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one
SMILESCC(C(=O)C(C)(C)C)N(C)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-9(10(14)11(2,3)4)13(8)12(5,6)7/h9H,1-8H3
InChIKeyPFYABAPMBLCVNN-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one?
The IUPAC name of 4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one (CID 20603980) is 4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one.
What is the SMILES notation for 4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one?
The canonical SMILES for 4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one is CC(C(=O)C(C)(C)C)N(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one?
The InChIKey is PFYABAPMBLCVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(10(14)11(2,3)4)13(8)12(5,6)7/h9H,1-8H3.
What are the key properties of 4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one?
4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one has a molecular weight of 199.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(methyl)amino]-2,2-dimethylpentan-3-one is sourced from PubChem (CID 20603980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).