4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde

C11H21NO2 — CID 62391267

IUPAC4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
SMILESCCCN(C)CC1(C=O)CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-6-12(2)9-11(10-13)4-7-14-8-5-11/h10H,3-9H2,1-2H3
InChIKeyORPSRRUVFANZED-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds5

About 4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde

4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde (PubChem CID 62391267) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
PubChem CID62391267
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
SMILESCCCN(C)CC1(C=O)CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-6-12(2)9-11(10-13)4-7-14-8-5-11/h10H,3-9H2,1-2H3
InChIKeyORPSRRUVFANZED-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
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 4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde (CID 62391267) is 4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde is CCCN(C)CC1(C=O)CCOCC1.
What is the InChIKey of 4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde?
The InChIKey is ORPSRRUVFANZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-6-12(2)9-11(10-13)4-7-14-8-5-11/h10H,3-9H2,1-2H3.
What are the key properties of 4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde?
4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde has a molecular weight of 199.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 62391267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).