3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde

C14H27NO3 — CID 63739741

IUPAC3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde
SMILESCOCCN(CC(C)C)CC1(C=O)CCCOC1
InChIInChI=1S/C14H27NO3/c1-13(2)9-15(6-8-17-3)10-14(11-16)5-4-7-18-12-14/h11,13H,4-10,12H2,1-3H3
InChIKeyLTALZKFGLQRCED-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.59
Rot. Bonds8

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

3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde (PubChem CID 63739741) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde
PubChem CID63739741
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde
SMILESCOCCN(CC(C)C)CC1(C=O)CCCOC1
InChIInChI=1S/C14H27NO3/c1-13(2)9-15(6-8-17-3)10-14(11-16)5-4-7-18-12-14/h11,13H,4-10,12H2,1-3H3
InChIKeyLTALZKFGLQRCED-UHFFFAOYSA-N
XLogP1.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 55051071
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63741331
3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]oxane-3-carbaldehyde
CID 63742040
1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62275891
3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]oxane-3-carbaldehyde
CID 63742041
3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63741857
3-[[methyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63739908
N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62257485
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65010232
3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63742033
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
3-propyloxane-3-carbaldehyde
CID 19814202

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde?
The IUPAC name of 3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde (CID 63739741) is 3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde.
What is the SMILES notation for 3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde?
The canonical SMILES for 3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde is COCCN(CC(C)C)CC1(C=O)CCCOC1.
What is the InChIKey of 3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde?
The InChIKey is LTALZKFGLQRCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2)9-15(6-8-17-3)10-14(11-16)5-4-7-18-12-14/h11,13H,4-10,12H2,1-3H3.
What are the key properties of 3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde?
3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde has a molecular weight of 257.37 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde is sourced from PubChem (CID 63739741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).