4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine

C13H24N2O — CID 66257577

IUPAC4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine
SMILESC=CCN(CC=C)CC1COCC1NCC
InChIInChI=1S/C13H24N2O/c1-4-7-15(8-5-2)9-12-10-16-11-13(12)14-6-3/h4-5,12-14H,1-2,6-11H2,3H3
InChIKeyFIFPWYIOMADKBB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.28
Rot. Bonds8

About 4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine

4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine (PubChem CID 66257577) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine
PubChem CID66257577
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine
SMILESC=CCN(CC=C)CC1COCC1NCC
InChIInChI=1S/C13H24N2O/c1-4-7-15(8-5-2)9-12-10-16-11-13(12)14-6-3/h4-5,12-14H,1-2,6-11H2,3H3
InChIKeyFIFPWYIOMADKBB-UHFFFAOYSA-N
XLogP1.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
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 4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine?
The IUPAC name of 4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine (CID 66257577) is 4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine?
The canonical SMILES for 4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine is C=CCN(CC=C)CC1COCC1NCC.
What is the InChIKey of 4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine?
The InChIKey is FIFPWYIOMADKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-7-15(8-5-2)9-12-10-16-11-13(12)14-6-3/h4-5,12-14H,1-2,6-11H2,3H3.
What are the key properties of 4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine?
4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine is sourced from PubChem (CID 66257577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).