3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine

C12H23NO2 — CID 115903690

IUPAC3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1CC(OCC)C1
InChIInChI=1S/C12H23NO2/c1-4-15-12-7-11(8-12)13-5-6-14-9-10(2)3/h11-13H,2,4-9H2,1,3H3
InChIKeyVZZWYSJCQXUGGI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds8

About 3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine

3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (PubChem CID 115903690) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
PubChem CID115903690
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1CC(OCC)C1
InChIInChI=1S/C12H23NO2/c1-4-15-12-7-11(8-12)13-5-6-14-9-10(2)3/h11-13H,2,4-9H2,1,3H3
InChIKeyVZZWYSJCQXUGGI-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (CID 115903690) is 3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is C=C(C)COCCNC1CC(OCC)C1.
What is the InChIKey of 3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The InChIKey is VZZWYSJCQXUGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-15-12-7-11(8-12)13-5-6-14-9-10(2)3/h11-13H,2,4-9H2,1,3H3.
What are the key properties of 3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 115903690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).