2-[[ethyl(methyl)amino]methyl]nonanedial

C13H25NO2 — CID 91057209

IUPAC2-[[ethyl(methyl)amino]methyl]nonanedial
SMILESCCN(C)CC(C=O)CCCCCCC=O
InChIInChI=1S/C13H25NO2/c1-3-14(2)11-13(12-16)9-7-5-4-6-8-10-15/h10,12-13H,3-9,11H2,1-2H3
InChIKeyKRQPOLTUSBHJFL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.29
Rot. Bonds11

About 2-[[ethyl(methyl)amino]methyl]nonanedial

2-[[ethyl(methyl)amino]methyl]nonanedial (PubChem CID 91057209) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[[ethyl(methyl)amino]methyl]nonanedial.

Molecular Properties

Compound Name2-[[ethyl(methyl)amino]methyl]nonanedial
PubChem CID91057209
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[[ethyl(methyl)amino]methyl]nonanedial
SMILESCCN(C)CC(C=O)CCCCCCC=O
InChIInChI=1S/C13H25NO2/c1-3-14(2)11-13(12-16)9-7-5-4-6-8-10-15/h10,12-13H,3-9,11H2,1-2H3
InChIKeyKRQPOLTUSBHJFL-UHFFFAOYSA-N
XLogP2.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(methyl)amino]methyl]nonanedial?
The IUPAC name of 2-[[ethyl(methyl)amino]methyl]nonanedial (CID 91057209) is 2-[[ethyl(methyl)amino]methyl]nonanedial.
What is the SMILES notation for 2-[[ethyl(methyl)amino]methyl]nonanedial?
The canonical SMILES for 2-[[ethyl(methyl)amino]methyl]nonanedial is CCN(C)CC(C=O)CCCCCCC=O.
What is the InChIKey of 2-[[ethyl(methyl)amino]methyl]nonanedial?
The InChIKey is KRQPOLTUSBHJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-14(2)11-13(12-16)9-7-5-4-6-8-10-15/h10,12-13H,3-9,11H2,1-2H3.
What are the key properties of 2-[[ethyl(methyl)amino]methyl]nonanedial?
2-[[ethyl(methyl)amino]methyl]nonanedial has a molecular weight of 227.35 g/mol, XLogP of 2.29, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)amino]methyl]nonanedial is sourced from PubChem (CID 91057209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).