N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

C13H24N2O — CID 62437685

IUPACN-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CCC(CNC)O1
InChIInChI=1S/C13H24N2O/c1-4-8-15(9-5-2)11-13-7-6-12(16-13)10-14-3/h4-5,12-14H,1-2,6-11H2,3H3
InChIKeyWOALZAJXIMDIST-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.43
Rot. Bonds8

About N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 62437685) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID62437685
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CCC(CNC)O1
InChIInChI=1S/C13H24N2O/c1-4-8-15(9-5-2)11-13-7-6-12(16-13)10-14-3/h4-5,12-14H,1-2,6-11H2,3H3
InChIKeyWOALZAJXIMDIST-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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 N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 62437685) is N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1CCC(CNC)O1.
What is the InChIKey of N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is WOALZAJXIMDIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-8-15(9-5-2)11-13-7-6-12(16-13)10-14-3/h4-5,12-14H,1-2,6-11H2,3H3.
What are the key properties of N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 62437685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).