1-cyclobutyl-3-(ethylamino)propan-1-one

C9H17NO — CID 116565933

IUPAC1-cyclobutyl-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)C1CCC1
InChIInChI=1S/C9H17NO/c1-2-10-7-6-9(11)8-4-3-5-8/h8,10H,2-7H2,1H3
InChIKeyDLSRLTRINNLMOS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.36
Rot. Bonds5

About 1-cyclobutyl-3-(ethylamino)propan-1-one

1-cyclobutyl-3-(ethylamino)propan-1-one (PubChem CID 116565933) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-cyclobutyl-3-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(ethylamino)propan-1-one
PubChem CID116565933
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-cyclobutyl-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)C1CCC1
InChIInChI=1S/C9H17NO/c1-2-10-7-6-9(11)8-4-3-5-8/h8,10H,2-7H2,1H3
InChIKeyDLSRLTRINNLMOS-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(ethylamino)propan-1-one?
The IUPAC name of 1-cyclobutyl-3-(ethylamino)propan-1-one (CID 116565933) is 1-cyclobutyl-3-(ethylamino)propan-1-one.
What is the SMILES notation for 1-cyclobutyl-3-(ethylamino)propan-1-one?
The canonical SMILES for 1-cyclobutyl-3-(ethylamino)propan-1-one is CCNCCC(=O)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(ethylamino)propan-1-one?
The InChIKey is DLSRLTRINNLMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-10-7-6-9(11)8-4-3-5-8/h8,10H,2-7H2,1H3.
What are the key properties of 1-cyclobutyl-3-(ethylamino)propan-1-one?
1-cyclobutyl-3-(ethylamino)propan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(ethylamino)propan-1-one is sourced from PubChem (CID 116565933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).