4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde

C16H18N2O2 — CID 143128955

IUPAC4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde
SMILESCN(CCOC1=CC=C(C=O)C=CC1)c1ccccn1
InChIInChI=1S/C16H18N2O2/c1-18(16-7-2-3-10-17-16)11-12-20-15-6-4-5-14(13-19)8-9-15/h2-5,7-10,13H,6,11-12H2,1H3
InChIKeyRWTFMLKOOVOLJG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.50
Rot. Bonds6

About 4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde

4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde (PubChem CID 143128955) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde
PubChem CID143128955
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde
SMILESCN(CCOC1=CC=C(C=O)C=CC1)c1ccccn1
InChIInChI=1S/C16H18N2O2/c1-18(16-7-2-3-10-17-16)11-12-20-15-6-4-5-14(13-19)8-9-15/h2-5,7-10,13H,6,11-12H2,1H3
InChIKeyRWTFMLKOOVOLJG-UHFFFAOYSA-N
XLogP2.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.50
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

N-methyl-N-[2-(methylaminooxy)ethyl]pyridin-2-amine
CID 89132306
4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]benzaldehyde
CID 46782305
N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
CID 75375799
ethane;molecular hydrogen;4-pyridin-2-ylcyclohepta-1,3,6-triene-1-carbaldehyde
CID 143296781
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
N-(2-methoxyethyl)-N'-methyl-N'-pyridin-2-ylethane-1,2-diamine
CID 62588167
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
S-[1-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-3-oxopropan-2-yl] N-methylcarbamothioate
CID 89097684
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde?
The IUPAC name of 4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde (CID 143128955) is 4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde.
What is the SMILES notation for 4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde?
The canonical SMILES for 4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde is CN(CCOC1=CC=C(C=O)C=CC1)c1ccccn1.
What is the InChIKey of 4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde?
The InChIKey is RWTFMLKOOVOLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(16-7-2-3-10-17-16)11-12-20-15-6-4-5-14(13-19)8-9-15/h2-5,7-10,13H,6,11-12H2,1H3.
What are the key properties of 4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde?
4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde has a molecular weight of 270.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(pyridin-2-yl)amino]ethoxy]cyclohepta-1,3,6-triene-1-carbaldehyde is sourced from PubChem (CID 143128955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).