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

C13H23NO2 — CID 63742033

IUPAC3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
SMILESCCCN(CC1(C=O)CCCOC1)C1CC1
InChIInChI=1S/C13H23NO2/c1-2-7-14(12-4-5-12)9-13(10-15)6-3-8-16-11-13/h10,12H,2-9,11H2,1H3
InChIKeyIHEOIRDMLDHRPR-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.86
Rot. Bonds6

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

3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde (PubChem CID 63742033) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
PubChem CID63742033
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
SMILESCCCN(CC1(C=O)CCCOC1)C1CC1
InChIInChI=1S/C13H23NO2/c1-2-7-14(12-4-5-12)9-13(10-15)6-3-8-16-11-13/h10,12H,2-9,11H2,1H3
InChIKeyIHEOIRDMLDHRPR-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.86
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-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63741857
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277416
3-propyloxane-3-carbaldehyde
CID 19814202
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
CID 63739769
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde
CID 55242231
4-[[cyclopropyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391098
3-[[methyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63739908
4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391970
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
1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275816

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde?
The IUPAC name of 3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde (CID 63742033) is 3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde.
What is the SMILES notation for 3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde?
The canonical SMILES for 3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde is CCCN(CC1(C=O)CCCOC1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde?
The InChIKey is IHEOIRDMLDHRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-7-14(12-4-5-12)9-13(10-15)6-3-8-16-11-13/h10,12H,2-9,11H2,1H3.
What are the key properties of 3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde?
3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde has a molecular weight of 225.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde is sourced from PubChem (CID 63742033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).