4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde

C17H23NO — CID 11334384

IUPAC4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde
SMILESCC1(C)CCN2CCC(C)(C)c3c(C=O)ccc1c32
InChIInChI=1S/C17H23NO/c1-16(2)7-9-18-10-8-17(3,4)14-12(11-19)5-6-13(16)15(14)18/h5-6,11H,7-10H2,1-4H3
InChIKeyIHPMXGJIZVYTCO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.67
Rot. Bonds1

About 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde

4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde (PubChem CID 11334384) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde.

Molecular Properties

Compound Name4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde
PubChem CID11334384
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde
SMILESCC1(C)CCN2CCC(C)(C)c3c(C=O)ccc1c32
InChIInChI=1S/C17H23NO/c1-16(2)7-9-18-10-8-17(3,4)14-12(11-19)5-6-13(16)15(14)18/h5-6,11H,7-10H2,1-4H3
InChIKeyIHPMXGJIZVYTCO-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde?
The IUPAC name of 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde (CID 11334384) is 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde.
What is the SMILES notation for 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde?
The canonical SMILES for 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde is CC1(C)CCN2CCC(C)(C)c3c(C=O)ccc1c32.
What is the InChIKey of 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde?
The InChIKey is IHPMXGJIZVYTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2)7-9-18-10-8-17(3,4)14-12(11-19)5-6-13(16)15(14)18/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde?
4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde has a molecular weight of 257.38 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-6-carbaldehyde is sourced from PubChem (CID 11334384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).