3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde

C16H27NO2 — CID 55242231

IUPAC3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde
SMILESCN(CC1CC2CCC1C2)CC1(C=O)CCCOC1
InChIInChI=1S/C16H27NO2/c1-17(9-15-8-13-3-4-14(15)7-13)10-16(11-18)5-2-6-19-12-16/h11,13-15H,2-10,12H2,1H3
InChIKeyIWVFDYUZFMXEGH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.35
Rot. Bonds5

About 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde

3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde (PubChem CID 55242231) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde
PubChem CID55242231
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde
SMILESCN(CC1CC2CCC1C2)CC1(C=O)CCCOC1
InChIInChI=1S/C16H27NO2/c1-17(9-15-8-13-3-4-14(15)7-13)10-16(11-18)5-2-6-19-12-16/h11,13-15H,2-10,12H2,1H3
InChIKeyIWVFDYUZFMXEGH-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.35
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-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63746094
3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63741857
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 55233839
N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63684055
3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63742033
N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 63682561
3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]oxane-3-carbaldehyde
CID 63742040
3-[[methyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63739908
3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276558
3-propyloxane-3-carbaldehyde
CID 19814202
4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde
CID 62390920
[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine
CID 103724691

Frequently Asked Questions

What is the IUPAC name of 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde?
The IUPAC name of 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde (CID 55242231) is 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde.
What is the SMILES notation for 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde?
The canonical SMILES for 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde is CN(CC1CC2CCC1C2)CC1(C=O)CCCOC1.
What is the InChIKey of 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde?
The InChIKey is IWVFDYUZFMXEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-17(9-15-8-13-3-4-14(15)7-13)10-16(11-18)5-2-6-19-12-16/h11,13-15H,2-10,12H2,1H3.
What are the key properties of 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde?
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde has a molecular weight of 265.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxane-3-carbaldehyde is sourced from PubChem (CID 55242231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).