3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde

C13H26N2O2 — CID 62276247

IUPAC3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde
SMILESCCCN(CCN(C)C)CC1(C=O)CCOC1
InChIInChI=1S/C13H26N2O2/c1-4-6-15(8-7-14(2)3)10-13(11-16)5-9-17-12-13/h11H,4-10,12H2,1-3H3
InChIKeyMQFIBYQAMLQERV-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.87
Rot. Bonds8

About 3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde

3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde (PubChem CID 62276247) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde
PubChem CID62276247
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde
SMILESCCCN(CCN(C)C)CC1(C=O)CCOC1
InChIInChI=1S/C13H26N2O2/c1-4-6-15(8-7-14(2)3)10-13(11-16)5-9-17-12-13/h11H,4-10,12H2,1-3H3
InChIKeyMQFIBYQAMLQERV-UHFFFAOYSA-N
XLogP0.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde (CID 62276247) is 3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde is CCCN(CCN(C)C)CC1(C=O)CCOC1.
What is the InChIKey of 3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde?
The InChIKey is MQFIBYQAMLQERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-6-15(8-7-14(2)3)10-13(11-16)5-9-17-12-13/h11H,4-10,12H2,1-3H3.
What are the key properties of 3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde?
3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde has a molecular weight of 242.36 g/mol, XLogP of 0.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)ethyl-propylamino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62276247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).