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

C12H24N2O — CID 66264489

IUPAC4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine
SMILESC=C(C)CN(CC)CC1(C)COCC1N
InChIInChI=1S/C12H24N2O/c1-5-14(6-10(2)3)8-12(4)9-15-7-11(12)13/h11H,2,5-9,13H2,1,3-4H3
InChIKeyNSEKSOUMOFXAAC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.25
Rot. Bonds5

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

4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine (PubChem CID 66264489) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine
PubChem CID66264489
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine
SMILESC=C(C)CN(CC)CC1(C)COCC1N
InChIInChI=1S/C12H24N2O/c1-5-14(6-10(2)3)8-12(4)9-15-7-11(12)13/h11H,2,5-9,13H2,1,3-4H3
InChIKeyNSEKSOUMOFXAAC-UHFFFAOYSA-N
XLogP1.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.25
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-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine (CID 66264489) is 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine is C=C(C)CN(CC)CC1(C)COCC1N.
What is the InChIKey of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine?
The InChIKey is NSEKSOUMOFXAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-14(6-10(2)3)8-12(4)9-15-7-11(12)13/h11H,2,5-9,13H2,1,3-4H3.
What are the key properties of 4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine?
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.25, 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]-4-methyloxolan-3-amine is sourced from PubChem (CID 66264489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).