1-cyclobutyl-1-(methylamino)propan-2-one

C8H15NO — CID 116955955

IUPAC1-cyclobutyl-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)C1CCC1
InChIInChI=1S/C8H15NO/c1-6(10)8(9-2)7-4-3-5-7/h7-9H,3-5H2,1-2H3
InChIKeyRDHHZUFAJUZMBS-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds3

About 1-cyclobutyl-1-(methylamino)propan-2-one

1-cyclobutyl-1-(methylamino)propan-2-one (PubChem CID 116955955) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-cyclobutyl-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-1-(methylamino)propan-2-one
PubChem CID116955955
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-cyclobutyl-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)C1CCC1
InChIInChI=1S/C8H15NO/c1-6(10)8(9-2)7-4-3-5-7/h7-9H,3-5H2,1-2H3
InChIKeyRDHHZUFAJUZMBS-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(methylamino)propan-2-one?
The IUPAC name of 1-cyclobutyl-1-(methylamino)propan-2-one (CID 116955955) is 1-cyclobutyl-1-(methylamino)propan-2-one.
What is the SMILES notation for 1-cyclobutyl-1-(methylamino)propan-2-one?
The canonical SMILES for 1-cyclobutyl-1-(methylamino)propan-2-one is CNC(C(C)=O)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-(methylamino)propan-2-one?
The InChIKey is RDHHZUFAJUZMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(10)8(9-2)7-4-3-5-7/h7-9H,3-5H2,1-2H3.
What are the key properties of 1-cyclobutyl-1-(methylamino)propan-2-one?
1-cyclobutyl-1-(methylamino)propan-2-one has a molecular weight of 141.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(methylamino)propan-2-one is sourced from PubChem (CID 116955955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).