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

C11H22N2O — CID 66237522

IUPAC4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
SMILESC=C(C)CN(CC)CC1COCC1N
InChIInChI=1S/C11H22N2O/c1-4-13(5-9(2)3)6-10-7-14-8-11(10)12/h10-11H,2,4-8,12H2,1,3H3
InChIKeyKTDBCMXZBXEADI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.86
Rot. Bonds5

About 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine

4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine (PubChem CID 66237522) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
PubChem CID66237522
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
SMILESC=C(C)CN(CC)CC1COCC1N
InChIInChI=1S/C11H22N2O/c1-4-13(5-9(2)3)6-10-7-14-8-11(10)12/h10-11H,2,4-8,12H2,1,3H3
InChIKeyKTDBCMXZBXEADI-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine (CID 66237522) is 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine is C=C(C)CN(CC)CC1COCC1N.
What is the InChIKey of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
The InChIKey is KTDBCMXZBXEADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-13(5-9(2)3)6-10-7-14-8-11(10)12/h10-11H,2,4-8,12H2,1,3H3.
What are the key properties of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66237522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).