2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine

C8H16N2O — CID 129138329

IUPAC2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine
SMILESC=C1CC(CN)OC1CCN
InChIInChI=1S/C8H16N2O/c1-6-4-7(5-10)11-8(6)2-3-9/h7-8H,1-5,9-10H2
InChIKeyKGZAZTVVPGBXQK-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.01
Rot. Bonds3

About 2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine

2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine (PubChem CID 129138329) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine
PubChem CID129138329
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine
SMILESC=C1CC(CN)OC1CCN
InChIInChI=1S/C8H16N2O/c1-6-4-7(5-10)11-8(6)2-3-9/h7-8H,1-5,9-10H2
InChIKeyKGZAZTVVPGBXQK-UHFFFAOYSA-N
XLogP0.01
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine?
The IUPAC name of 2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine (CID 129138329) is 2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine?
The canonical SMILES for 2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine is C=C1CC(CN)OC1CCN.
What is the InChIKey of 2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine?
The InChIKey is KGZAZTVVPGBXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-4-7(5-10)11-8(6)2-3-9/h7-8H,1-5,9-10H2.
What are the key properties of 2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine?
2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine has a molecular weight of 156.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-3-methylideneoxolan-2-yl]ethanamine is sourced from PubChem (CID 129138329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).