3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine

C11H22N2O — CID 64893230

IUPAC3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
SMILESC=C(C)CN(CC)CC1(N)CCOC1
InChIInChI=1S/C11H22N2O/c1-4-13(7-10(2)3)8-11(12)5-6-14-9-11/h2,4-9,12H2,1,3H3
InChIKeyJXPXFDZQDMSVFJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.00
Rot. Bonds5

About 3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine

3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine (PubChem CID 64893230) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
PubChem CID64893230
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
SMILESC=C(C)CN(CC)CC1(N)CCOC1
InChIInChI=1S/C11H22N2O/c1-4-13(7-10(2)3)8-11(12)5-6-14-9-11/h2,4-9,12H2,1,3H3
InChIKeyJXPXFDZQDMSVFJ-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.00
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 3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine (CID 64893230) is 3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine is C=C(C)CN(CC)CC1(N)CCOC1.
What is the InChIKey of 3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
The InChIKey is JXPXFDZQDMSVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-13(7-10(2)3)8-11(12)5-6-14-9-11/h2,4-9,12H2,1,3H3.
What are the key properties of 3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine has a molecular weight of 198.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 64893230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).