2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one

C11H21NO — CID 116921693

IUPAC2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one
SMILESCNCC1(C(=O)C(C)(C)C)CCC1
InChIInChI=1S/C11H21NO/c1-10(2,3)9(13)11(8-12-4)6-5-7-11/h12H,5-8H2,1-4H3
InChIKeyAVPIATIHAHBIQC-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.99
Rot. Bonds3

About 2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one

2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one (PubChem CID 116921693) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one
PubChem CID116921693
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one
SMILESCNCC1(C(=O)C(C)(C)C)CCC1
InChIInChI=1S/C11H21NO/c1-10(2,3)9(13)11(8-12-4)6-5-7-11/h12H,5-8H2,1-4H3
InChIKeyAVPIATIHAHBIQC-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one (CID 116921693) is 2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one is CNCC1(C(=O)C(C)(C)C)CCC1.
What is the InChIKey of 2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one?
The InChIKey is AVPIATIHAHBIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)9(13)11(8-12-4)6-5-7-11/h12H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one?
2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one has a molecular weight of 183.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one is sourced from PubChem (CID 116921693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).