N-(2-ethoxyethyl)oxolan-3-amine

C8H17NO2 — CID 63331953

IUPACN-(2-ethoxyethyl)oxolan-3-amine
SMILESCCOCCNC1CCOC1
InChIInChI=1S/C8H17NO2/c1-2-10-6-4-9-8-3-5-11-7-8/h8-9H,2-7H2,1H3
InChIKeyBZPGSPKOXKHJSR-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.40
Rot. Bonds5

About N-(2-ethoxyethyl)oxolan-3-amine

N-(2-ethoxyethyl)oxolan-3-amine (PubChem CID 63331953) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(2-ethoxyethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)oxolan-3-amine
PubChem CID63331953
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(2-ethoxyethyl)oxolan-3-amine
SMILESCCOCCNC1CCOC1
InChIInChI=1S/C8H17NO2/c1-2-10-6-4-9-8-3-5-11-7-8/h8-9H,2-7H2,1H3
InChIKeyBZPGSPKOXKHJSR-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 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 ≤ 50.40
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 N-(2-ethoxyethyl)oxolan-3-amine?
The IUPAC name of N-(2-ethoxyethyl)oxolan-3-amine (CID 63331953) is N-(2-ethoxyethyl)oxolan-3-amine.
What is the SMILES notation for N-(2-ethoxyethyl)oxolan-3-amine?
The canonical SMILES for N-(2-ethoxyethyl)oxolan-3-amine is CCOCCNC1CCOC1.
What is the InChIKey of N-(2-ethoxyethyl)oxolan-3-amine?
The InChIKey is BZPGSPKOXKHJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-10-6-4-9-8-3-5-11-7-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(2-ethoxyethyl)oxolan-3-amine?
N-(2-ethoxyethyl)oxolan-3-amine has a molecular weight of 159.23 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)oxolan-3-amine is sourced from PubChem (CID 63331953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).