1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one

C14H26N2O — CID 79573190

IUPAC1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one
SMILESCNC1CCCC1CCN1CCCCCC1=O
InChIInChI=1S/C14H26N2O/c1-15-13-7-5-6-12(13)9-11-16-10-4-2-3-8-14(16)17/h12-13,15H,2-11H2,1H3
InChIKeyIMJYGFLLAHTKPR-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one

1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one (PubChem CID 79573190) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one
PubChem CID79573190
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one
SMILESCNC1CCCC1CCN1CCCCCC1=O
InChIInChI=1S/C14H26N2O/c1-15-13-7-5-6-12(13)9-11-16-10-4-2-3-8-14(16)17/h12-13,15H,2-11H2,1H3
InChIKeyIMJYGFLLAHTKPR-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one?
The IUPAC name of 1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one (CID 79573190) is 1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one.
What is the SMILES notation for 1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one?
The canonical SMILES for 1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one is CNC1CCCC1CCN1CCCCCC1=O.
What is the InChIKey of 1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one?
The InChIKey is IMJYGFLLAHTKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15-13-7-5-6-12(13)9-11-16-10-4-2-3-8-14(16)17/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one?
1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one is sourced from PubChem (CID 79573190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).