3-[butyl(ethyl)amino]cyclopentan-1-one

C11H21NO — CID 79642680

IUPAC3-[butyl(ethyl)amino]cyclopentan-1-one
SMILESCCCCN(CC)C1CCC(=O)C1
InChIInChI=1S/C11H21NO/c1-3-5-8-12(4-2)10-6-7-11(13)9-10/h10H,3-9H2,1-2H3
InChIKeyURBHPGYSLYWJGU-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.23
Rot. Bonds5

About 3-[butyl(ethyl)amino]cyclopentan-1-one

3-[butyl(ethyl)amino]cyclopentan-1-one (PubChem CID 79642680) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]cyclopentan-1-one
PubChem CID79642680
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[butyl(ethyl)amino]cyclopentan-1-one
SMILESCCCCN(CC)C1CCC(=O)C1
InChIInChI=1S/C11H21NO/c1-3-5-8-12(4-2)10-6-7-11(13)9-10/h10H,3-9H2,1-2H3
InChIKeyURBHPGYSLYWJGU-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)amino]cyclopentan-1-one?
The IUPAC name of 3-[butyl(ethyl)amino]cyclopentan-1-one (CID 79642680) is 3-[butyl(ethyl)amino]cyclopentan-1-one.
What is the SMILES notation for 3-[butyl(ethyl)amino]cyclopentan-1-one?
The canonical SMILES for 3-[butyl(ethyl)amino]cyclopentan-1-one is CCCCN(CC)C1CCC(=O)C1.
What is the InChIKey of 3-[butyl(ethyl)amino]cyclopentan-1-one?
The InChIKey is URBHPGYSLYWJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-8-12(4-2)10-6-7-11(13)9-10/h10H,3-9H2,1-2H3.
What are the key properties of 3-[butyl(ethyl)amino]cyclopentan-1-one?
3-[butyl(ethyl)amino]cyclopentan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]cyclopentan-1-one is sourced from PubChem (CID 79642680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).