N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine

C12H25NO4 — CID 114099390

IUPACN-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine
SMILESCCOC1CC(NCC(COC)OC)C1OC
InChIInChI=1S/C12H25NO4/c1-5-17-11-6-10(12(11)16-4)13-7-9(15-3)8-14-2/h9-13H,5-8H2,1-4H3
InChIKeyWAMWPQIGLXDBBT-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.43
Rot. Bonds9

About N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine

N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine (PubChem CID 114099390) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine
PubChem CID114099390
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC NameN-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine
SMILESCCOC1CC(NCC(COC)OC)C1OC
InChIInChI=1S/C12H25NO4/c1-5-17-11-6-10(12(11)16-4)13-7-9(15-3)8-14-2/h9-13H,5-8H2,1-4H3
InChIKeyWAMWPQIGLXDBBT-UHFFFAOYSA-N
XLogP0.43
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine?
The IUPAC name of N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine (CID 114099390) is N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine.
What is the SMILES notation for N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine?
The canonical SMILES for N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine is CCOC1CC(NCC(COC)OC)C1OC.
What is the InChIKey of N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine?
The InChIKey is WAMWPQIGLXDBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-5-17-11-6-10(12(11)16-4)13-7-9(15-3)8-14-2/h9-13H,5-8H2,1-4H3.
What are the key properties of N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine?
N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine has a molecular weight of 247.33 g/mol, XLogP of 0.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 114099390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).