1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine

C12H25NO2 — CID 103169156

IUPAC1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine
SMILESCCOC1CC(CC(N)COC(C)C)C1
InChIInChI=1S/C12H25NO2/c1-4-14-12-6-10(7-12)5-11(13)8-15-9(2)3/h9-12H,4-8,13H2,1-3H3
InChIKeyYKKWZPWSETTXAM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.94
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine

1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine (PubChem CID 103169156) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine
PubChem CID103169156
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine
SMILESCCOC1CC(CC(N)COC(C)C)C1
InChIInChI=1S/C12H25NO2/c1-4-14-12-6-10(7-12)5-11(13)8-15-9(2)3/h9-12H,4-8,13H2,1-3H3
InChIKeyYKKWZPWSETTXAM-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine (CID 103169156) is 1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine is CCOC1CC(CC(N)COC(C)C)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is YKKWZPWSETTXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-14-12-6-10(7-12)5-11(13)8-15-9(2)3/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine?
1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 103169156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).