3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde

C13H24N2O2 — CID 55163030

IUPAC3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCN(CCN1CCCC1)CC1(C=O)CCOC1
InChIInChI=1S/C13H24N2O2/c1-14(7-8-15-5-2-3-6-15)10-13(11-16)4-9-17-12-13/h11H,2-10,12H2,1H3
InChIKeyQKZVAYUYMOGBCQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.62
Rot. Bonds6

About 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde

3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde (PubChem CID 55163030) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde
PubChem CID55163030
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCN(CCN1CCCC1)CC1(C=O)CCOC1
InChIInChI=1S/C13H24N2O2/c1-14(7-8-15-5-2-3-6-15)10-13(11-16)4-9-17-12-13/h11H,2-10,12H2,1H3
InChIKeyQKZVAYUYMOGBCQ-UHFFFAOYSA-N
XLogP0.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.62
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-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde (CID 55163030) is 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde is CN(CCN1CCCC1)CC1(C=O)CCOC1.
What is the InChIKey of 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde?
The InChIKey is QKZVAYUYMOGBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14(7-8-15-5-2-3-6-15)10-13(11-16)4-9-17-12-13/h11H,2-10,12H2,1H3.
What are the key properties of 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde?
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde has a molecular weight of 240.35 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 55163030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).