N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine

C19H27N — CID 121355279

IUPACN-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine
SMILESCC(C)c1cccc(C(C)C)c1/N=C1/CC2CCC1C2
InChIInChI=1S/C19H27N/c1-12(2)16-6-5-7-17(13(3)4)19(16)20-18-11-14-8-9-15(18)10-14/h5-7,12-15H,8-11H2,1-4H3/b20-18-
InChIKeyZVSUBGQSLOCTMA-ZZEZOPTASA-N
MW269.43 g/mol
LogP5.83
Rot. Bonds3

About N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine

N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine (PubChem CID 121355279) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine
PubChem CID121355279
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine
SMILESCC(C)c1cccc(C(C)C)c1/N=C1/CC2CCC1C2
InChIInChI=1S/C19H27N/c1-12(2)16-6-5-7-17(13(3)4)19(16)20-18-11-14-8-9-15(18)10-14/h5-7,12-15H,8-11H2,1-4H3/b20-18-
InChIKeyZVSUBGQSLOCTMA-ZZEZOPTASA-N
XLogP5.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine (CID 121355279) is N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine is CC(C)c1cccc(C(C)C)c1/N=C1/CC2CCC1C2.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine?
The InChIKey is ZVSUBGQSLOCTMA-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H27N/c1-12(2)16-6-5-7-17(13(3)4)19(16)20-18-11-14-8-9-15(18)10-14/h5-7,12-15H,8-11H2,1-4H3/b20-18-.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine?
N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine has a molecular weight of 269.43 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]bicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 121355279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).