3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine

C12H26N2O3 — CID 64893853

IUPAC3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
SMILESCOCCCN(CCOC)CC1(N)CCOC1
InChIInChI=1S/C12H26N2O3/c1-15-7-3-5-14(6-9-16-2)10-12(13)4-8-17-11-12/h3-11,13H2,1-2H3
InChIKeyIFWZYVZOAPEIEJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.09
Rot. Bonds9

About 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine

3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine (PubChem CID 64893853) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
PubChem CID64893853
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
SMILESCOCCCN(CCOC)CC1(N)CCOC1
InChIInChI=1S/C12H26N2O3/c1-15-7-3-5-14(6-9-16-2)10-12(13)4-8-17-11-12/h3-11,13H2,1-2H3
InChIKeyIFWZYVZOAPEIEJ-UHFFFAOYSA-N
XLogP0.09
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.09
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-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine (CID 64893853) is 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine is COCCCN(CCOC)CC1(N)CCOC1.
What is the InChIKey of 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine?
The InChIKey is IFWZYVZOAPEIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-15-7-3-5-14(6-9-16-2)10-12(13)4-8-17-11-12/h3-11,13H2,1-2H3.
What are the key properties of 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine?
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine has a molecular weight of 246.35 g/mol, XLogP of 0.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 64893853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).