4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine

C11H24N2O2 — CID 81059601

IUPAC4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine
SMILESCCOCCN(C)C1(CN)CCOCC1
InChIInChI=1S/C11H24N2O2/c1-3-14-9-6-13(2)11(10-12)4-7-15-8-5-11/h3-10,12H2,1-2H3
InChIKeyJBEUJBVBHDLTKO-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.46
Rot. Bonds6

About 4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine

4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine (PubChem CID 81059601) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine
PubChem CID81059601
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine
SMILESCCOCCN(C)C1(CN)CCOCC1
InChIInChI=1S/C11H24N2O2/c1-3-14-9-6-13(2)11(10-12)4-7-15-8-5-11/h3-10,12H2,1-2H3
InChIKeyJBEUJBVBHDLTKO-UHFFFAOYSA-N
XLogP0.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
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 4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine (CID 81059601) is 4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine is CCOCCN(C)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine?
The InChIKey is JBEUJBVBHDLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-14-9-6-13(2)11(10-12)4-7-15-8-5-11/h3-10,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine?
4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine has a molecular weight of 216.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine is sourced from PubChem (CID 81059601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).