(2S,3R)-2-(butoxymethyl)oxetan-3-amine

C8H17NO2 — CID 90365743

IUPAC(2S,3R)-2-(butoxymethyl)oxetan-3-amine
SMILESCCCCOC[C@H]1OC[C@H]1N
InChIInChI=1S/C8H17NO2/c1-2-3-4-10-6-8-7(9)5-11-8/h7-8H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyYLCYRPJJFOVJTC-HTQZYQBOSA-N
MW159.23 g/mol
LogP0.53
Rot. Bonds5

About (2S,3R)-2-(butoxymethyl)oxetan-3-amine

(2S,3R)-2-(butoxymethyl)oxetan-3-amine (PubChem CID 90365743) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S,3R)-2-(butoxymethyl)oxetan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-(butoxymethyl)oxetan-3-amine
PubChem CID90365743
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S,3R)-2-(butoxymethyl)oxetan-3-amine
SMILESCCCCOC[C@H]1OC[C@H]1N
InChIInChI=1S/C8H17NO2/c1-2-3-4-10-6-8-7(9)5-11-8/h7-8H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyYLCYRPJJFOVJTC-HTQZYQBOSA-N
XLogP0.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(butoxymethyl)oxetan-3-amine?
The IUPAC name of (2S,3R)-2-(butoxymethyl)oxetan-3-amine (CID 90365743) is (2S,3R)-2-(butoxymethyl)oxetan-3-amine.
What is the SMILES notation for (2S,3R)-2-(butoxymethyl)oxetan-3-amine?
The canonical SMILES for (2S,3R)-2-(butoxymethyl)oxetan-3-amine is CCCCOC[C@H]1OC[C@H]1N.
What is the InChIKey of (2S,3R)-2-(butoxymethyl)oxetan-3-amine?
The InChIKey is YLCYRPJJFOVJTC-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-4-10-6-8-7(9)5-11-8/h7-8H,2-6,9H2,1H3/t7-,8-/m1/s1.
What are the key properties of (2S,3R)-2-(butoxymethyl)oxetan-3-amine?
(2S,3R)-2-(butoxymethyl)oxetan-3-amine has a molecular weight of 159.23 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(butoxymethyl)oxetan-3-amine is sourced from PubChem (CID 90365743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).