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

C13H25NO2 — CID 64852288

IUPACN-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESC=COCCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C13H25NO2/c1-5-15-9-7-8-14-11-10-12(16-6-2)13(11,3)4/h5,11-12,14H,1,6-10H2,2-4H3
InChIKeyYCLCIJFNGMTSFO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.33
Rot. Bonds8

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

N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 64852288) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID64852288
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESC=COCCCNC1CC(OCC)C1(C)C
InChIInChI=1S/C13H25NO2/c1-5-15-9-7-8-14-11-10-12(16-6-2)13(11,3)4/h5,11-12,14H,1,6-10H2,2-4H3
InChIKeyYCLCIJFNGMTSFO-UHFFFAOYSA-N
XLogP2.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 64852288) is N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is C=COCCCNC1CC(OCC)C1(C)C.
What is the InChIKey of N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is YCLCIJFNGMTSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-15-9-7-8-14-11-10-12(16-6-2)13(11,3)4/h5,11-12,14H,1,6-10H2,2-4H3.
What are the key properties of N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 64852288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).