3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine

C12H25NO2 — CID 64851125

IUPAC3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine
SMILESCCOCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C12H25NO2/c1-5-14-8-7-13-10-9-11(15-6-2)12(10,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyMNAAAWPQIGNBPX-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds7

About 3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine

3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine (PubChem CID 64851125) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine
PubChem CID64851125
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine
SMILESCCOCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C12H25NO2/c1-5-14-8-7-13-10-9-11(15-6-2)12(10,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyMNAAAWPQIGNBPX-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 64852129
CID 64852129
CID 65169663
CID 65169663
CID 66350085
CID 66350085
CID 66350973
CID 66350973
CID 66357166
CID 66357166
CID 66359803
CID 66359803
CID 82009208
CID 82009208
CID 82010281
CID 82010281

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine (CID 64851125) is 3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine is CCOCCNC1CC(OCC)C1(C)C.
What is the InChIKey of 3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is MNAAAWPQIGNBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-14-8-7-13-10-9-11(15-6-2)12(10,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-ethoxyethyl)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64851125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).