3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde

C11H21NO2 — CID 63741857

IUPAC3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde
SMILESCCCN(C)CC1(C=O)CCCOC1
InChIInChI=1S/C11H21NO2/c1-3-6-12(2)8-11(9-13)5-4-7-14-10-11/h9H,3-8,10H2,1-2H3
InChIKeyLTXHLOZUHMQKTQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds5

About 3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde

3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde (PubChem CID 63741857) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde
PubChem CID63741857
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde
SMILESCCCN(C)CC1(C=O)CCCOC1
InChIInChI=1S/C11H21NO2/c1-3-6-12(2)8-11(9-13)5-4-7-14-10-11/h9H,3-8,10H2,1-2H3
InChIKeyLTXHLOZUHMQKTQ-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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Related Compounds

3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276558
4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
CID 62391267
3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63742033
3-[[methyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63739908
3-propyloxane-3-carbaldehyde
CID 19814202
3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]oxane-3-carbaldehyde
CID 63742040
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde
CID 55242231
1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62278291
3-[[propan-2-yl(propyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276953
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63741331
3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]oxane-3-carbaldehyde
CID 63742041
3-[[(3-chlorophenyl)methyl-methylamino]methyl]oxane-3-carbaldehyde
CID 63739911

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde?
The IUPAC name of 3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde (CID 63741857) is 3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde.
What is the SMILES notation for 3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde?
The canonical SMILES for 3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde is CCCN(C)CC1(C=O)CCCOC1.
What is the InChIKey of 3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde?
The InChIKey is LTXHLOZUHMQKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-6-12(2)8-11(9-13)5-4-7-14-10-11/h9H,3-8,10H2,1-2H3.
What are the key properties of 3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde?
3-[[methyl(propyl)amino]methyl]oxane-3-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 3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde is sourced from PubChem (CID 63741857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).