4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

C13H28N2O — CID 79934630

IUPAC4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCCN(C)CC1C(NC)C(C)(C)OC1(C)C
InChIInChI=1S/C13H28N2O/c1-8-15(7)9-10-11(14-6)13(4,5)16-12(10,2)3/h10-11,14H,8-9H2,1-7H3
InChIKeyUUQNUTIUFXAEGY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds4

About 4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 79934630) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID79934630
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCCN(C)CC1C(NC)C(C)(C)OC1(C)C
InChIInChI=1S/C13H28N2O/c1-8-15(7)9-10-11(14-6)13(4,5)16-12(10,2)3/h10-11,14H,8-9H2,1-7H3
InChIKeyUUQNUTIUFXAEGY-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (CID 79934630) is 4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine is CCN(C)CC1C(NC)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is UUQNUTIUFXAEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-8-15(7)9-10-11(14-6)13(4,5)16-12(10,2)3/h10-11,14H,8-9H2,1-7H3.
What are the key properties of 4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 79934630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).