2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine

C15H23N — CID 123261550

IUPAC2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine
SMILESC=CC(C)=CC(C)=CC(=C=NC)C(C)(C)C
InChIInChI=1S/C15H23N/c1-8-12(2)9-13(3)10-14(11-16-7)15(4,5)6/h8-10H,1H2,2-7H3
InChIKeyWZNMXKWYANJCMC-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.34
Rot. Bonds3

About 2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine

2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine (PubChem CID 123261550) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine.

Molecular Properties

Compound Name2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine
PubChem CID123261550
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine
SMILESC=CC(C)=CC(C)=CC(=C=NC)C(C)(C)C
InChIInChI=1S/C15H23N/c1-8-12(2)9-13(3)10-14(11-16-7)15(4,5)6/h8-10H,1H2,2-7H3
InChIKeyWZNMXKWYANJCMC-UHFFFAOYSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine?
The IUPAC name of 2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine (CID 123261550) is 2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine.
What is the SMILES notation for 2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine?
The canonical SMILES for 2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine is C=CC(C)=CC(C)=CC(=C=NC)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine?
The InChIKey is WZNMXKWYANJCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-8-12(2)9-13(3)10-14(11-16-7)15(4,5)6/h8-10H,1H2,2-7H3.
What are the key properties of 2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine?
2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,4,6-trimethylocta-1,3,5,7-tetraen-1-imine is sourced from PubChem (CID 123261550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).