4-methoxycyclohexane-1,2-diimine

C7H12N2O — CID 90965637

IUPAC4-methoxycyclohexane-1,2-diimine
SMILES[H]/N=C1\CCC(OC)C\C1=N/[H]
InChIInChI=1S/C7H12N2O/c1-10-5-2-3-6(8)7(9)4-5/h5,8-9H,2-4H2,1H3/b8-6+,9-7+
InChIKeyBTPFSBJFCPUIMB-CDJQDVQCSA-N
MW140.19 g/mol
LogP1.22
Rot. Bonds1

About 4-methoxycyclohexane-1,2-diimine

4-methoxycyclohexane-1,2-diimine (PubChem CID 90965637) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-methoxycyclohexane-1,2-diimine.

Molecular Properties

Compound Name4-methoxycyclohexane-1,2-diimine
PubChem CID90965637
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-methoxycyclohexane-1,2-diimine
SMILES[H]/N=C1\CCC(OC)C\C1=N/[H]
InChIInChI=1S/C7H12N2O/c1-10-5-2-3-6(8)7(9)4-5/h5,8-9H,2-4H2,1H3/b8-6+,9-7+
InChIKeyBTPFSBJFCPUIMB-CDJQDVQCSA-N
XLogP1.22
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxycyclohexane-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

1-Cyclohexyloxypropan-2-imine
CID 139460389
4-Pentoxycyclohexan-1-imine
CID 142613044
4-Methoxycyclohexan-1-imine
CID 147478902
(5S)-5-methoxyhexan-2-imine
CID 163644460
2-Methyloxan-4-imine
CID 164044884
N-chloro-4-methoxycyclohexan-1-imine
CID 172355098
2-Methoxyhexan-3-imine
CID 173847105
2-Methoxycyclohexan-1-imine
CID 177227182
2-[(4-Methoxycyclohexylidene)amino]guanidine
CID 104438143
2-[(3-Methoxycyclohexylidene)amino]guanidine
CID 106874577
2-[(Z)-(3-methoxycyclohexylidene)amino]guanidine
CID 133680041

Frequently Asked Questions

What is the IUPAC name of 4-methoxycyclohexane-1,2-diimine?
The IUPAC name of 4-methoxycyclohexane-1,2-diimine (CID 90965637) is 4-methoxycyclohexane-1,2-diimine.
What is the SMILES notation for 4-methoxycyclohexane-1,2-diimine?
The canonical SMILES for 4-methoxycyclohexane-1,2-diimine is [H]/N=C1\CCC(OC)C\C1=N/[H].
What is the InChIKey of 4-methoxycyclohexane-1,2-diimine?
The InChIKey is BTPFSBJFCPUIMB-CDJQDVQCSA-N. The full InChI is InChI=1S/C7H12N2O/c1-10-5-2-3-6(8)7(9)4-5/h5,8-9H,2-4H2,1H3/b8-6+,9-7+.
What are the key properties of 4-methoxycyclohexane-1,2-diimine?
4-methoxycyclohexane-1,2-diimine has a molecular weight of 140.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycyclohexane-1,2-diimine is sourced from PubChem (CID 90965637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).