2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one

C13H25NO3 — CID 55093679

IUPAC2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one
SMILESCOCCN(CCOC)CC1CCCCC1=O
InChIInChI=1S/C13H25NO3/c1-16-9-7-14(8-10-17-2)11-12-5-3-4-6-13(12)15/h12H,3-11H2,1-2H3
InChIKeyHQGUHPUOJYIMLP-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.34
Rot. Bonds8

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

2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one (PubChem CID 55093679) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one
PubChem CID55093679
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one
SMILESCOCCN(CCOC)CC1CCCCC1=O
InChIInChI=1S/C13H25NO3/c1-16-9-7-14(8-10-17-2)11-12-5-3-4-6-13(12)15/h12H,3-11H2,1-2H3
InChIKeyHQGUHPUOJYIMLP-UHFFFAOYSA-N
XLogP1.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.34
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]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one (CID 55093679) is 2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one is COCCN(CCOC)CC1CCCCC1=O.
What is the InChIKey of 2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is HQGUHPUOJYIMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-16-9-7-14(8-10-17-2)11-12-5-3-4-6-13(12)15/h12H,3-11H2,1-2H3.
What are the key properties of 2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one?
2-[[bis(2-methoxyethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 243.35 g/mol, XLogP of 1.34, 8 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]methyl]cyclohexan-1-one is sourced from PubChem (CID 55093679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).