(1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine

C33H42N2 — CID 90670985

IUPAC(1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)/C(=N/c1ccc(Cc3ccc(/N=C4\C[C@H]5CC[C@]4(C)C5(C)C)cc3)cc1)C2
InChIInChI=1S/C33H42N2/c1-30(2)24-15-17-32(30,5)28(20-24)34-26-11-7-22(8-12-26)19-23-9-13-27(14-10-23)35-29-21-25-16-18-33(29,6)31(25,3)4/h7-14,24-25H,15-21H2,1-6H3/b34-28+,35-29+/t24-,25-,32+,33+/m1/s1
InChIKeyYJSOSYQSQBTQMR-SVANKCRISA-N
MW466.71 g/mol
LogP9.11
Rot. Bonds4

About (1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine

(1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine (PubChem CID 90670985) has the molecular formula C33H42N2 and a molecular weight of 466.71 g/mol. Its IUPAC name is (1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name(1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine
PubChem CID90670985
Molecular FormulaC33H42N2
Molecular Weight466.71 g/mol
Exact Mass466.33
IUPAC Name(1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)/C(=N/c1ccc(Cc3ccc(/N=C4\C[C@H]5CC[C@]4(C)C5(C)C)cc3)cc1)C2
InChIInChI=1S/C33H42N2/c1-30(2)24-15-17-32(30,5)28(20-24)34-26-11-7-22(8-12-26)19-23-9-13-27(14-10-23)35-29-21-25-16-18-33(29,6)31(25,3)4/h7-14,24-25H,15-21H2,1-6H3/b34-28+,35-29+/t24-,25-,32+,33+/m1/s1
InChIKeyYJSOSYQSQBTQMR-SVANKCRISA-N
XLogP9.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine?
The IUPAC name of (1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine (CID 90670985) is (1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for (1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for (1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine is CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/c1ccc(Cc3ccc(/N=C4\C[C@H]5CC[C@]4(C)C5(C)C)cc3)cc1)C2.
What is the InChIKey of (1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine?
The InChIKey is YJSOSYQSQBTQMR-SVANKCRISA-N. The full InChI is InChI=1S/C33H42N2/c1-30(2)24-15-17-32(30,5)28(20-24)34-26-11-7-22(8-12-26)19-23-9-13-27(14-10-23)35-29-21-25-16-18-33(29,6)31(25,3)4/h7-14,24-25H,15-21H2,1-6H3/b34-28+,35-29+/t24-,25-,32+,33+/m1/s1.
What are the key properties of (1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine?
(1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine has a molecular weight of 466.71 g/mol, XLogP of 9.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1,7,7-trimethyl-N-[4-[[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenyl]methyl]phenyl]bicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 90670985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).