1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine

C20H22N2O2 — CID 123594616

IUPAC1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
SMILESc1ccc(CON=C2CCCCC2=NOCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)22-24-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChIKeyAJYWJRHHIMXPDR-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.71
Rot. Bonds6

About 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine

1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine (PubChem CID 123594616) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
PubChem CID123594616
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
SMILESc1ccc(CON=C2CCCCC2=NOCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)22-24-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChIKeyAJYWJRHHIMXPDR-UHFFFAOYSA-N
XLogP4.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-phenylmethoxyiminocyclohexan-1-one
CID 88531753
2-phenylmethoxyiminocyclohexan-1-one
CID 123257370
benzyl nitrite;cyclohexane
CID 175094734
1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
CID 87328565
3,4,5,6-tetrachloro-1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
CID 87328504
(5E)-5-phenylmethoxyimino-N,N-dipropyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-amine
CID 10948221
N-phenylmethoxymethanimine
CID 561610
N-phenylmethoxy-10H-anthracen-9-imine
CID 174339688
1-N,4-N-bis(phenylmethoxy)cyclohexane-1,4-diimine;5,5-dimethyl-1-N,3-N-bis(phenylmethoxy)cyclohexane-1,3-diimine
CID 89297713
(2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine
CID 140649030
2-methyl-N-phenylmethoxy-1,3-dithian-5-imine
CID 2805584
N-[(4-phenylmethoxyphenyl)methyl]cyclopentanimine
CID 23343854

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine (CID 123594616) is 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine is c1ccc(CON=C2CCCCC2=NOCc2ccccc2)cc1.
What is the InChIKey of 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine?
The InChIKey is AJYWJRHHIMXPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)22-24-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2.
What are the key properties of 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine?
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine has a molecular weight of 322.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine is sourced from PubChem (CID 123594616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).