2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one

C15H29NO — CID 79570142

IUPAC2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one
SMILESCCC(CC)CN(CC)CCC1CCCC1=O
InChIInChI=1S/C15H29NO/c1-4-13(5-2)12-16(6-3)11-10-14-8-7-9-15(14)17/h13-14H,4-12H2,1-3H3
InChIKeyRRSJLYJZPSUDFI-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds8

About 2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one

2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one (PubChem CID 79570142) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one
PubChem CID79570142
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one
SMILESCCC(CC)CN(CC)CCC1CCCC1=O
InChIInChI=1S/C15H29NO/c1-4-13(5-2)12-16(6-3)11-10-14-8-7-9-15(14)17/h13-14H,4-12H2,1-3H3
InChIKeyRRSJLYJZPSUDFI-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one (CID 79570142) is 2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one is CCC(CC)CN(CC)CCC1CCCC1=O.
What is the InChIKey of 2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one?
The InChIKey is RRSJLYJZPSUDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-13(5-2)12-16(6-3)11-10-14-8-7-9-15(14)17/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one?
2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentan-1-one is sourced from PubChem (CID 79570142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).