5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one

C13H25NO — CID 79866669

IUPAC5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCCCN(CC)CC1CCC(C)(C)C1=O
InChIInChI=1S/C13H25NO/c1-5-9-14(6-2)10-11-7-8-13(3,4)12(11)15/h11H,5-10H2,1-4H3
InChIKeyJZYSXVCEYQNBRM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds5

About 5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one

5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 79866669) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID79866669
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCCCN(CC)CC1CCC(C)(C)C1=O
InChIInChI=1S/C13H25NO/c1-5-9-14(6-2)10-11-7-8-13(3,4)12(11)15/h11H,5-10H2,1-4H3
InChIKeyJZYSXVCEYQNBRM-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one (CID 79866669) is 5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one is CCCN(CC)CC1CCC(C)(C)C1=O.
What is the InChIKey of 5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is JZYSXVCEYQNBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-9-14(6-2)10-11-7-8-13(3,4)12(11)15/h11H,5-10H2,1-4H3.
What are the key properties of 5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 79866669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).