N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine

C10H19NO2 — CID 62572674

IUPACN-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine
SMILESC=CCOCCNCC1CCOC1
InChIInChI=1S/C10H19NO2/c1-2-5-12-7-4-11-8-10-3-6-13-9-10/h2,10-11H,1,3-9H2
InChIKeyRKYYURIWUJAQAF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.82
Rot. Bonds7

About N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine

N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine (PubChem CID 62572674) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine
PubChem CID62572674
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine
SMILESC=CCOCCNCC1CCOC1
InChIInChI=1S/C10H19NO2/c1-2-5-12-7-4-11-8-10-3-6-13-9-10/h2,10-11H,1,3-9H2
InChIKeyRKYYURIWUJAQAF-UHFFFAOYSA-N
XLogP0.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine (CID 62572674) is N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine is C=CCOCCNCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine?
The InChIKey is RKYYURIWUJAQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-5-12-7-4-11-8-10-3-6-13-9-10/h2,10-11H,1,3-9H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine?
N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine has a molecular weight of 185.27 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-prop-2-enoxyethanamine is sourced from PubChem (CID 62572674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).