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

C13H25NO3 — CID 113365387

IUPAC3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1CC(OCC)C1OC
InChIInChI=1S/C13H25NO3/c1-5-17-12-8-11(13(12)15-4)14-6-7-16-9-10(2)3/h11-14H,2,5-9H2,1,3-4H3
InChIKeyBAUORFFVNLXZFW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.36
Rot. Bonds9

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

3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (PubChem CID 113365387) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
PubChem CID113365387
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
SMILESC=C(C)COCCNC1CC(OCC)C1OC
InChIInChI=1S/C13H25NO3/c1-5-17-12-8-11(13(12)15-4)14-6-7-16-9-10(2)3/h11-14H,2,5-9H2,1,3-4H3
InChIKeyBAUORFFVNLXZFW-UHFFFAOYSA-N
XLogP1.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoxy)-N-prop-2-ynylcyclobutan-1-amine
CID 121451211
N-methyl-2-(2-methylprop-2-enoxy)cyclobutan-1-amine
CID 121451213
3-ethoxy-2-methoxy-N-prop-2-enylcyclobutan-1-amine
CID 104008878
N-(3-ethenoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine
CID 104009134
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 104871908
3-ethoxy-2-methoxy-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106737143
3-ethoxy-2-methoxy-N-(2-methylprop-2-enyl)cyclobutan-1-amine
CID 114615844
3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 115903690
N-but-3-enyl-3-ethoxy-2-methoxycyclobutan-1-amine
CID 116032599

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine (CID 113365387) is 3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is C=C(C)COCCNC1CC(OCC)C1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
The InChIKey is BAUORFFVNLXZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-17-12-8-11(13(12)15-4)14-6-7-16-9-10(2)3/h11-14H,2,5-9H2,1,3-4H3.
What are the key properties of 3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine?
3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 113365387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).