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

C11H20N2O — CID 66237924

IUPAC4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine
SMILESC=CCN(CC=C)CC1COCC1N
InChIInChI=1S/C11H20N2O/c1-3-5-13(6-4-2)7-10-8-14-9-11(10)12/h3-4,10-11H,1-2,5-9,12H2
InChIKeyUVGPHAOHDVLTOL-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.63
Rot. Bonds6

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

4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine (PubChem CID 66237924) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine
PubChem CID66237924
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine
SMILESC=CCN(CC=C)CC1COCC1N
InChIInChI=1S/C11H20N2O/c1-3-5-13(6-4-2)7-10-8-14-9-11(10)12/h3-4,10-11H,1-2,5-9,12H2
InChIKeyUVGPHAOHDVLTOL-UHFFFAOYSA-N
XLogP0.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.63
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]oxolan-3-amine?
The IUPAC name of 4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine (CID 66237924) is 4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine is C=CCN(CC=C)CC1COCC1N.
What is the InChIKey of 4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine?
The InChIKey is UVGPHAOHDVLTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-13(6-4-2)7-10-8-14-9-11(10)12/h3-4,10-11H,1-2,5-9,12H2.
What are the key properties of 4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine?
4-[[bis(prop-2-enyl)amino]methyl]oxolan-3-amine has a molecular weight of 196.29 g/mol, XLogP of 0.63, 6 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]oxolan-3-amine is sourced from PubChem (CID 66237924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).