3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine

C13H25NO3 — CID 113364997

IUPAC3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC2CCOCC2)C1OC
InChIInChI=1S/C13H25NO3/c1-3-17-12-8-11(13(12)15-2)14-9-10-4-6-16-7-5-10/h10-14H,3-9H2,1-2H3
InChIKeyDQWBBTYKPPXEGI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.20
Rot. Bonds6

About 3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine

3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine (PubChem CID 113364997) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine
PubChem CID113364997
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC2CCOCC2)C1OC
InChIInChI=1S/C13H25NO3/c1-3-17-12-8-11(13(12)15-2)14-9-10-4-6-16-7-5-10/h10-14H,3-9H2,1-2H3
InChIKeyDQWBBTYKPPXEGI-UHFFFAOYSA-N
XLogP1.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine
CID 114110576
3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 113364998
3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104759373
3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine
CID 113365056
N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine
CID 114099390
2-ethoxy-N-methyl-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine
CID 104676439
3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol
CID 113365383
4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol
CID 113364868
3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine
CID 112554557
(1S,2R,4R)-N-(3-ethoxy-2-methoxycyclobutyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 128663031
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 106662513

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine (CID 113364997) is 3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine is CCOC1CC(NCC2CCOCC2)C1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is DQWBBTYKPPXEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-17-12-8-11(13(12)15-2)14-9-10-4-6-16-7-5-10/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine?
3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 1.20, 6 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-(oxan-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 113364997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).