2-[methyl(oxan-4-yl)amino]cycloheptan-1-one

C13H23NO2 — CID 60862939

IUPAC2-[methyl(oxan-4-yl)amino]cycloheptan-1-one
SMILESCN(C1CCOCC1)C1CCCCCC1=O
InChIInChI=1S/C13H23NO2/c1-14(11-7-9-16-10-8-11)12-5-3-2-4-6-13(12)15/h11-12H,2-10H2,1H3
InChIKeyZQCJNSYMYQNCDC-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.00
Rot. Bonds2

About 2-[methyl(oxan-4-yl)amino]cycloheptan-1-one

2-[methyl(oxan-4-yl)amino]cycloheptan-1-one (PubChem CID 60862939) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)amino]cycloheptan-1-one.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)amino]cycloheptan-1-one
PubChem CID60862939
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[methyl(oxan-4-yl)amino]cycloheptan-1-one
SMILESCN(C1CCOCC1)C1CCCCCC1=O
InChIInChI=1S/C13H23NO2/c1-14(11-7-9-16-10-8-11)12-5-3-2-4-6-13(12)15/h11-12H,2-10H2,1H3
InChIKeyZQCJNSYMYQNCDC-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)amino]cycloheptan-1-one?
The IUPAC name of 2-[methyl(oxan-4-yl)amino]cycloheptan-1-one (CID 60862939) is 2-[methyl(oxan-4-yl)amino]cycloheptan-1-one.
What is the SMILES notation for 2-[methyl(oxan-4-yl)amino]cycloheptan-1-one?
The canonical SMILES for 2-[methyl(oxan-4-yl)amino]cycloheptan-1-one is CN(C1CCOCC1)C1CCCCCC1=O.
What is the InChIKey of 2-[methyl(oxan-4-yl)amino]cycloheptan-1-one?
The InChIKey is ZQCJNSYMYQNCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(11-7-9-16-10-8-11)12-5-3-2-4-6-13(12)15/h11-12H,2-10H2,1H3.
What are the key properties of 2-[methyl(oxan-4-yl)amino]cycloheptan-1-one?
2-[methyl(oxan-4-yl)amino]cycloheptan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)amino]cycloheptan-1-one is sourced from PubChem (CID 60862939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).