4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde

C23H37NO3 — CID 102266200

IUPAC4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde
SMILESCN(CCCCCCCCCCOC1CCCCO1)c1ccc(C=O)cc1
InChIInChI=1S/C23H37NO3/c1-24(22-15-13-21(20-25)14-16-22)17-9-6-4-2-3-5-7-10-18-26-23-12-8-11-19-27-23/h13-16,20,23H,2-12,17-19H2,1H3
InChIKeyYFDDKHYMCVATIM-UHFFFAOYSA-N
MW375.55 g/mol
LogP5.60
Rot. Bonds14

About 4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde

4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde (PubChem CID 102266200) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is 4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde.

Molecular Properties

Compound Name4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde
PubChem CID102266200
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Name4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde
SMILESCN(CCCCCCCCCCOC1CCCCO1)c1ccc(C=O)cc1
InChIInChI=1S/C23H37NO3/c1-24(22-15-13-21(20-25)14-16-22)17-9-6-4-2-3-5-7-10-18-26-23-12-8-11-19-27-23/h13-16,20,23H,2-12,17-19H2,1H3
InChIKeyYFDDKHYMCVATIM-UHFFFAOYSA-N
XLogP5.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.55
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
2-[2-[4-[ethyl-[6-(oxan-2-yloxy)hexyl]amino]phenyl]ethenyl]chromen-4-one
CID 70294202
2-(12-bromododecoxy)oxane
CID 11078592
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(12-chlorododecoxy)oxane
CID 14014573
2-octacosoxyoxane
CID 11214102
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
4-[(E)-1-(oxan-2-yloxy)prop-1-en-2-yl]benzaldehyde
CID 11253628
(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal
CID 10469994
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde?
The IUPAC name of 4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde (CID 102266200) is 4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde.
What is the SMILES notation for 4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde?
The canonical SMILES for 4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde is CN(CCCCCCCCCCOC1CCCCO1)c1ccc(C=O)cc1.
What is the InChIKey of 4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde?
The InChIKey is YFDDKHYMCVATIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3/c1-24(22-15-13-21(20-25)14-16-22)17-9-6-4-2-3-5-7-10-18-26-23-12-8-11-19-27-23/h13-16,20,23H,2-12,17-19H2,1H3.
What are the key properties of 4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde?
4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde has a molecular weight of 375.55 g/mol, XLogP of 5.60, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[10-(oxan-2-yloxy)decyl]amino]benzaldehyde is sourced from PubChem (CID 102266200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).