2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one

C14H27NO2 — CID 55136052

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one
SMILESCCC(C)N(CCOC)C1CCCCCC1=O
InChIInChI=1S/C14H27NO2/c1-4-12(2)15(10-11-17-3)13-8-6-5-7-9-14(13)16/h12-13H,4-11H2,1-3H3
InChIKeyHFDJGFZCVRWJOI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.64
Rot. Bonds6

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

2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one (PubChem CID 55136052) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one
PubChem CID55136052
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one
SMILESCCC(C)N(CCOC)C1CCCCCC1=O
InChIInChI=1S/C14H27NO2/c1-4-12(2)15(10-11-17-3)13-8-6-5-7-9-14(13)16/h12-13H,4-11H2,1-3H3
InChIKeyHFDJGFZCVRWJOI-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one (CID 55136052) is 2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one is CCC(C)N(CCOC)C1CCCCCC1=O.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one?
The InChIKey is HFDJGFZCVRWJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-12(2)15(10-11-17-3)13-8-6-5-7-9-14(13)16/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one?
2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]cycloheptan-1-one is sourced from PubChem (CID 55136052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).