N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine

C40H54N4 — CID 58810712

IUPACN-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine
SMILESC(=N/c1ccc(-c2ccc(/N=C/C3CCCCC3)c(/N=C/C3CCCCC3)c2)cc1/N=C/C1CCCCC1)\C1CCCCC1
InChIInChI=1S/C40H54N4/c1-5-13-31(14-6-1)27-41-37-23-21-35(25-39(37)43-29-33-17-9-3-10-18-33)36-22-24-38(42-28-32-15-7-2-8-16-32)40(26-36)44-30-34-19-11-4-12-20-34/h21-34H,1-20H2/b41-27+,42-28+,43-29+,44-30+
InChIKeyHGKGJMMGHGBGPN-KQOZPODPSA-N
MW590.90 g/mol
LogP12.48
Rot. Bonds9

About N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine

N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine (PubChem CID 58810712) has the molecular formula C40H54N4 and a molecular weight of 590.90 g/mol. Its IUPAC name is N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine.

Molecular Properties

Compound NameN-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine
PubChem CID58810712
Molecular FormulaC40H54N4
Molecular Weight590.90 g/mol
Exact Mass590.43
IUPAC NameN-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine
SMILESC(=N/c1ccc(-c2ccc(/N=C/C3CCCCC3)c(/N=C/C3CCCCC3)c2)cc1/N=C/C1CCCCC1)\C1CCCCC1
InChIInChI=1S/C40H54N4/c1-5-13-31(14-6-1)27-41-37-23-21-35(25-39(37)43-29-33-17-9-3-10-18-33)36-22-24-38(42-28-32-15-7-2-8-16-32)40(26-36)44-30-34-19-11-4-12-20-34/h21-34H,1-20H2/b41-27+,42-28+,43-29+,44-30+
InChIKeyHGKGJMMGHGBGPN-KQOZPODPSA-N
XLogP12.48
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.90
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine?
The IUPAC name of N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine (CID 58810712) is N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine.
What is the SMILES notation for N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine?
The canonical SMILES for N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine is C(=N/c1ccc(-c2ccc(/N=C/C3CCCCC3)c(/N=C/C3CCCCC3)c2)cc1/N=C/C1CCCCC1)\C1CCCCC1.
What is the InChIKey of N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine?
The InChIKey is HGKGJMMGHGBGPN-KQOZPODPSA-N. The full InChI is InChI=1S/C40H54N4/c1-5-13-31(14-6-1)27-41-37-23-21-35(25-39(37)43-29-33-17-9-3-10-18-33)36-22-24-38(42-28-32-15-7-2-8-16-32)40(26-36)44-30-34-19-11-4-12-20-34/h21-34H,1-20H2/b41-27+,42-28+,43-29+,44-30+.
What are the key properties of N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine?
N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine has a molecular weight of 590.90 g/mol, XLogP of 12.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,4-bis(cyclohexylmethylideneamino)phenyl]-2-(cyclohexylmethylideneamino)phenyl]-1-cyclohexylmethanimine is sourced from PubChem (CID 58810712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).