[5-(ethoxymethyl)oxolan-2-yl]methanamine

C8H17NO2 — CID 62445630

IUPAC[5-(ethoxymethyl)oxolan-2-yl]methanamine
SMILESCCOCC1CCC(CN)O1
InChIInChI=1S/C8H17NO2/c1-2-10-6-8-4-3-7(5-9)11-8/h7-8H,2-6,9H2,1H3
InChIKeyDGEADTPHROYWKN-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.53
Rot. Bonds4

About [5-(ethoxymethyl)oxolan-2-yl]methanamine

[5-(ethoxymethyl)oxolan-2-yl]methanamine (PubChem CID 62445630) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [5-(ethoxymethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(ethoxymethyl)oxolan-2-yl]methanamine
PubChem CID62445630
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[5-(ethoxymethyl)oxolan-2-yl]methanamine
SMILESCCOCC1CCC(CN)O1
InChIInChI=1S/C8H17NO2/c1-2-10-6-8-4-3-7(5-9)11-8/h7-8H,2-6,9H2,1H3
InChIKeyDGEADTPHROYWKN-UHFFFAOYSA-N
XLogP0.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of [5-(ethoxymethyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(ethoxymethyl)oxolan-2-yl]methanamine (CID 62445630) is [5-(ethoxymethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(ethoxymethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(ethoxymethyl)oxolan-2-yl]methanamine is CCOCC1CCC(CN)O1.
What is the InChIKey of [5-(ethoxymethyl)oxolan-2-yl]methanamine?
The InChIKey is DGEADTPHROYWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-10-6-8-4-3-7(5-9)11-8/h7-8H,2-6,9H2,1H3.
What are the key properties of [5-(ethoxymethyl)oxolan-2-yl]methanamine?
[5-(ethoxymethyl)oxolan-2-yl]methanamine has a molecular weight of 159.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethoxymethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 62445630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).