3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine

C12H26N2O2 — CID 79927952

IUPAC3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCCNC1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)8-12(9-13,11(3,4)16-10)14-6-7-15-5/h14H,6-9,13H2,1-5H3
InChIKeyCOTLQLQOLLYQEL-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.90
Rot. Bonds5

About 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine

3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79927952) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79927952
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCCNC1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)8-12(9-13,11(3,4)16-10)14-6-7-15-5/h14H,6-9,13H2,1-5H3
InChIKeyCOTLQLQOLLYQEL-UHFFFAOYSA-N
XLogP0.90
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79927952) is 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine is COCCNC1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is COTLQLQOLLYQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)8-12(9-13,11(3,4)16-10)14-6-7-15-5/h14H,6-9,13H2,1-5H3.
What are the key properties of 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 230.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79927952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).