N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine

C20H22N2 — CID 11818613

IUPACN-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine
SMILESC(=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C20H22N2/c1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18/h1-6,9-12,15-16,19-20H,7-8,13-14H2/b21-15+,22-16+/t19-,20-/m1/s1
InChIKeyJMPHAUXNTAPSCF-MWCFMYSGSA-N
MW290.41 g/mol
LogP4.54
Rot. Bonds4

About N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine

N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine (PubChem CID 11818613) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine
PubChem CID11818613
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine
SMILESC(=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C20H22N2/c1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18/h1-6,9-12,15-16,19-20H,7-8,13-14H2/b21-15+,22-16+/t19-,20-/m1/s1
InChIKeyJMPHAUXNTAPSCF-MWCFMYSGSA-N
XLogP4.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine?
The IUPAC name of N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine (CID 11818613) is N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine.
What is the SMILES notation for N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine?
The canonical SMILES for N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine is C(=N/[C@@H]1CCCC[C@H]1/N=C/c1ccccc1)\c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine?
The InChIKey is JMPHAUXNTAPSCF-MWCFMYSGSA-N. The full InChI is InChI=1S/C20H22N2/c1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18/h1-6,9-12,15-16,19-20H,7-8,13-14H2/b21-15+,22-16+/t19-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine?
N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine has a molecular weight of 290.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(benzylideneamino)cyclohexyl]-1-phenylmethanimine is sourced from PubChem (CID 11818613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).