2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine

C9H19NO3 — CID 102605740

IUPAC2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine
SMILESCCOC(CN)CCOC1COC1
InChIInChI=1S/C9H19NO3/c1-2-12-8(5-10)3-4-13-9-6-11-7-9/h8-9H,2-7,10H2,1H3
InChIKeyBJRYLNBEDRLNEL-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.16
Rot. Bonds7

About 2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine

2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine (PubChem CID 102605740) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine
PubChem CID102605740
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine
SMILESCCOC(CN)CCOC1COC1
InChIInChI=1S/C9H19NO3/c1-2-12-8(5-10)3-4-13-9-6-11-7-9/h8-9H,2-7,10H2,1H3
InChIKeyBJRYLNBEDRLNEL-UHFFFAOYSA-N
XLogP0.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine (CID 102605740) is 2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine is CCOC(CN)CCOC1COC1.
What is the InChIKey of 2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine?
The InChIKey is BJRYLNBEDRLNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-12-8(5-10)3-4-13-9-6-11-7-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine?
2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine has a molecular weight of 189.25 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine is sourced from PubChem (CID 102605740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).