2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one

C12H23NO — CID 62611855

IUPAC2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one
SMILESCCCCN(CC)CC1CCCC1=O
InChIInChI=1S/C12H23NO/c1-3-5-9-13(4-2)10-11-7-6-8-12(11)14/h11H,3-10H2,1-2H3
InChIKeyWTTJNGIWPOCTIR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds6

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

2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one (PubChem CID 62611855) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one
PubChem CID62611855
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one
SMILESCCCCN(CC)CC1CCCC1=O
InChIInChI=1S/C12H23NO/c1-3-5-9-13(4-2)10-11-7-6-8-12(11)14/h11H,3-10H2,1-2H3
InChIKeyWTTJNGIWPOCTIR-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one (CID 62611855) is 2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one is CCCCN(CC)CC1CCCC1=O.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one?
The InChIKey is WTTJNGIWPOCTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-9-13(4-2)10-11-7-6-8-12(11)14/h11H,3-10H2,1-2H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one?
2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 62611855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).