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

C16H34N2O3 — CID 79911929

IUPAC3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCCCN(CCOC)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H34N2O3/c1-14(2)12-16(13-17,15(3,4)21-14)18(9-11-20-6)8-7-10-19-5/h7-13,17H2,1-6H3
InChIKeyGOJSVXXDMGMKPI-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.65
Rot. Bonds9

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

3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79911929) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79911929
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCCCN(CCOC)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H34N2O3/c1-14(2)12-16(13-17,15(3,4)21-14)18(9-11-20-6)8-7-10-19-5/h7-13,17H2,1-6H3
InChIKeyGOJSVXXDMGMKPI-UHFFFAOYSA-N
XLogP1.65
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79911929) is 3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine is COCCCN(CCOC)C1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is GOJSVXXDMGMKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-14(2)12-16(13-17,15(3,4)21-14)18(9-11-20-6)8-7-10-19-5/h7-13,17H2,1-6H3.
What are the key properties of 3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 302.46 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79911929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).