3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde

C11H21NO2 — CID 62276188

IUPAC3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCC(C)CN(C)CC1(C=O)CCOC1
InChIInChI=1S/C11H21NO2/c1-10(2)6-12(3)7-11(8-13)4-5-14-9-11/h8,10H,4-7,9H2,1-3H3
InChIKeySTTSDLBRFIKPQH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.18
Rot. Bonds5

About 3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde

3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde (PubChem CID 62276188) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde
PubChem CID62276188
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCC(C)CN(C)CC1(C=O)CCOC1
InChIInChI=1S/C11H21NO2/c1-10(2)6-12(3)7-11(8-13)4-5-14-9-11/h8,10H,4-7,9H2,1-3H3
InChIKeySTTSDLBRFIKPQH-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde (CID 62276188) is 3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde is CC(C)CN(C)CC1(C=O)CCOC1.
What is the InChIKey of 3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
The InChIKey is STTSDLBRFIKPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)6-12(3)7-11(8-13)4-5-14-9-11/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde has a molecular weight of 199.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62276188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).