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

C11H22N2O — CID 79568973

IUPAC2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one
SMILESCNCCN(C)CCC1CCCC1=O
InChIInChI=1S/C11H22N2O/c1-12-7-9-13(2)8-6-10-4-3-5-11(10)14/h10,12H,3-9H2,1-2H3
InChIKeyGVPMHPXTNNHEMX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.90
Rot. Bonds6

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

2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one (PubChem CID 79568973) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one
PubChem CID79568973
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one
SMILESCNCCN(C)CCC1CCCC1=O
InChIInChI=1S/C11H22N2O/c1-12-7-9-13(2)8-6-10-4-3-5-11(10)14/h10,12H,3-9H2,1-2H3
InChIKeyGVPMHPXTNNHEMX-UHFFFAOYSA-N
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one (CID 79568973) is 2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one is CNCCN(C)CCC1CCCC1=O.
What is the InChIKey of 2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one?
The InChIKey is GVPMHPXTNNHEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-7-9-13(2)8-6-10-4-3-5-11(10)14/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one?
2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one has a molecular weight of 198.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one is sourced from PubChem (CID 79568973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).