N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

C32H36NP — CID 132532385

IUPACN-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N\[C@@H]1CCCc3cccc(P(c4ccccc4)c4ccccc4)c31)C2(C)C
InChIInChI=1S/C32H36NP/c1-31(2)24-20-21-32(31,3)29(22-24)33-27-18-10-12-23-13-11-19-28(30(23)27)34(25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-9,11,13-17,19,24,27H,10,12,18,20-22H2,1-3H3/b33-29+/t24?,27-,32?/m1/s1
InChIKeyPHKJOXZHFBQFOG-JXRVLUEKSA-N
MW465.62 g/mol
LogP7.11
Rot. Bonds4

About N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (PubChem CID 132532385) has the molecular formula C32H36NP and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound NameN-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
PubChem CID132532385
Molecular FormulaC32H36NP
Molecular Weight465.62 g/mol
Exact Mass465.26
IUPAC NameN-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(C/C1=N\[C@@H]1CCCc3cccc(P(c4ccccc4)c4ccccc4)c31)C2(C)C
InChIInChI=1S/C32H36NP/c1-31(2)24-20-21-32(31,3)29(22-24)33-27-18-10-12-23-13-11-19-28(30(23)27)34(25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-9,11,13-17,19,24,27H,10,12,18,20-22H2,1-3H3/b33-29+/t24?,27-,32?/m1/s1
InChIKeyPHKJOXZHFBQFOG-JXRVLUEKSA-N
XLogP7.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N,8-bis(diphenylphosphanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71608542
(E,1S,4S)-1,7,7-trimethyl-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]bicyclo[2.2.1]heptan-2-imine
CID 124885950
(19-diphenylphosphanyl-3-tricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaenyl)-diphenylphosphane
CID 134992058
(20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane
CID 134992051
N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 7129928
N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23350614
[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] benzoate
CID 4633669
(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
CID 7813883
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399
1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine
CID 175694316
(1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine
CID 102228854
(1R,4R)-1,7,7-trimethyl-N-[4-[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenoxy]phenyl]bicyclo[2.2.1]heptan-2-imine
CID 90670986

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (CID 132532385) is N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is CC12CCC(C/C1=N\[C@@H]1CCCc3cccc(P(c4ccccc4)c4ccccc4)c31)C2(C)C.
What is the InChIKey of N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is PHKJOXZHFBQFOG-JXRVLUEKSA-N. The full InChI is InChI=1S/C32H36NP/c1-31(2)24-20-21-32(31,3)29(22-24)33-27-18-10-12-23-13-11-19-28(30(23)27)34(25-14-6-4-7-15-25)26-16-8-5-9-17-26/h4-9,11,13-17,19,24,27H,10,12,18,20-22H2,1-3H3/b33-29+/t24?,27-,32?/m1/s1.
What are the key properties of N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 465.62 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-8-diphenylphosphanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 132532385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).