2-[bis(2-methoxyethyl)amino]cycloheptan-1-one

C13H25NO3 — CID 60864171

IUPAC2-[bis(2-methoxyethyl)amino]cycloheptan-1-one
SMILESCOCCN(CCOC)C1CCCCCC1=O
InChIInChI=1S/C13H25NO3/c1-16-10-8-14(9-11-17-2)12-6-4-3-5-7-13(12)15/h12H,3-11H2,1-2H3
InChIKeyPATDGZHQIZDYGU-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.48
Rot. Bonds7

About 2-[bis(2-methoxyethyl)amino]cycloheptan-1-one

2-[bis(2-methoxyethyl)amino]cycloheptan-1-one (PubChem CID 60864171) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]cycloheptan-1-one.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]cycloheptan-1-one
PubChem CID60864171
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[bis(2-methoxyethyl)amino]cycloheptan-1-one
SMILESCOCCN(CCOC)C1CCCCCC1=O
InChIInChI=1S/C13H25NO3/c1-16-10-8-14(9-11-17-2)12-6-4-3-5-7-13(12)15/h12H,3-11H2,1-2H3
InChIKeyPATDGZHQIZDYGU-UHFFFAOYSA-N
XLogP1.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]cycloheptan-1-one?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]cycloheptan-1-one (CID 60864171) is 2-[bis(2-methoxyethyl)amino]cycloheptan-1-one.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]cycloheptan-1-one?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]cycloheptan-1-one is COCCN(CCOC)C1CCCCCC1=O.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]cycloheptan-1-one?
The InChIKey is PATDGZHQIZDYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-16-10-8-14(9-11-17-2)12-6-4-3-5-7-13(12)15/h12H,3-11H2,1-2H3.
What are the key properties of 2-[bis(2-methoxyethyl)amino]cycloheptan-1-one?
2-[bis(2-methoxyethyl)amino]cycloheptan-1-one has a molecular weight of 243.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]cycloheptan-1-one is sourced from PubChem (CID 60864171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).