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

C13H26N2O — CID 66259902

IUPACN-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
SMILESC=C(C)CN(CC)CC1COCC1NCC
InChIInChI=1S/C13H26N2O/c1-5-14-13-10-16-9-12(13)8-15(6-2)7-11(3)4/h12-14H,3,5-10H2,1-2,4H3
InChIKeyVJOJVSDFGOTXAD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.51
Rot. Bonds7

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

N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine (PubChem CID 66259902) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
PubChem CID66259902
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
SMILESC=C(C)CN(CC)CC1COCC1NCC
InChIInChI=1S/C13H26N2O/c1-5-14-13-10-16-9-12(13)8-15(6-2)7-11(3)4/h12-14H,3,5-10H2,1-2,4H3
InChIKeyVJOJVSDFGOTXAD-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.51
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-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine (CID 66259902) is N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine is C=C(C)CN(CC)CC1COCC1NCC.
What is the InChIKey of N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
The InChIKey is VJOJVSDFGOTXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-14-13-10-16-9-12(13)8-15(6-2)7-11(3)4/h12-14H,3,5-10H2,1-2,4H3.
What are the key properties of N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine?
N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66259902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).