(4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine

C24H28N2 — CID 2342634

IUPAC(4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine
SMILESC1=C(NN=C2CCC(c3ccccc3)CC2)CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C24H28N2/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-26-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-10,15,21-22,25H,11-14,16-18H2/b26-24-/t21-,22?/m0/s1
InChIKeyVRXQYSOSDRHCJN-GADWOXCUSA-N
MW344.50 g/mol
LogP6.14
Rot. Bonds4

About (4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine

(4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine (PubChem CID 2342634) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine.

Molecular Properties

Compound Name(4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine
PubChem CID2342634
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name(4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine
SMILESC1=C(NN=C2CCC(c3ccccc3)CC2)CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C24H28N2/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-26-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-10,15,21-22,25H,11-14,16-18H2/b26-24-/t21-,22?/m0/s1
InChIKeyVRXQYSOSDRHCJN-GADWOXCUSA-N
XLogP6.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine?
The IUPAC name of (4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine (CID 2342634) is (4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine.
What is the SMILES notation for (4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine?
The canonical SMILES for (4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine is C1=C(NN=C2CCC(c3ccccc3)CC2)CC[C@@H](c2ccccc2)C1.
What is the InChIKey of (4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine?
The InChIKey is VRXQYSOSDRHCJN-GADWOXCUSA-N. The full InChI is InChI=1S/C24H28N2/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-26-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-10,15,21-22,25H,11-14,16-18H2/b26-24-/t21-,22?/m0/s1.
What are the key properties of (4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine?
(4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine has a molecular weight of 344.50 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-N-[(4-phenylcyclohexylidene)amino]cyclohexen-1-amine is sourced from PubChem (CID 2342634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).