[3-(3-ethoxypropyl)oxolan-3-yl]methanamine

C10H21NO2 — CID 65180750

IUPAC[3-(3-ethoxypropyl)oxolan-3-yl]methanamine
SMILESCCOCCCC1(CN)CCOC1
InChIInChI=1S/C10H21NO2/c1-2-12-6-3-4-10(8-11)5-7-13-9-10/h2-9,11H2,1H3
InChIKeyIOVGMNQQGYYPQG-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.17
Rot. Bonds6

About [3-(3-ethoxypropyl)oxolan-3-yl]methanamine

[3-(3-ethoxypropyl)oxolan-3-yl]methanamine (PubChem CID 65180750) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [3-(3-ethoxypropyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethoxypropyl)oxolan-3-yl]methanamine
PubChem CID65180750
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[3-(3-ethoxypropyl)oxolan-3-yl]methanamine
SMILESCCOCCCC1(CN)CCOC1
InChIInChI=1S/C10H21NO2/c1-2-12-6-3-4-10(8-11)5-7-13-9-10/h2-9,11H2,1H3
InChIKeyIOVGMNQQGYYPQG-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.17
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 [3-(3-ethoxypropyl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(3-ethoxypropyl)oxolan-3-yl]methanamine (CID 65180750) is [3-(3-ethoxypropyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(3-ethoxypropyl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(3-ethoxypropyl)oxolan-3-yl]methanamine is CCOCCCC1(CN)CCOC1.
What is the InChIKey of [3-(3-ethoxypropyl)oxolan-3-yl]methanamine?
The InChIKey is IOVGMNQQGYYPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-12-6-3-4-10(8-11)5-7-13-9-10/h2-9,11H2,1H3.
What are the key properties of [3-(3-ethoxypropyl)oxolan-3-yl]methanamine?
[3-(3-ethoxypropyl)oxolan-3-yl]methanamine has a molecular weight of 187.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethoxypropyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 65180750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).