1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine

C20H30BNO3 — CID 165050500

IUPAC1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
SMILESCON=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1CCCCC1
InChIInChI=1S/C20H30BNO3/c1-19(2)20(3,4)25-21(24-19)17-13-11-16(12-14-17)18(22-23-5)15-9-7-6-8-10-15/h11-15H,6-10H2,1-5H3
InChIKeyPOVUKSYYMGZRGB-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.92
Rot. Bonds4

About 1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine

1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine (PubChem CID 165050500) has the molecular formula C20H30BNO3 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
PubChem CID165050500
Molecular FormulaC20H30BNO3
Molecular Weight343.28 g/mol
Exact Mass343.23
IUPAC Name1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
SMILESCON=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1CCCCC1
InChIInChI=1S/C20H30BNO3/c1-19(2)20(3,4)25-21(24-19)17-13-11-16(12-14-17)18(22-23-5)15-9-7-6-8-10-15/h11-15H,6-10H2,1-5H3
InChIKeyPOVUKSYYMGZRGB-UHFFFAOYSA-N
XLogP3.92
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine?
The IUPAC name of 1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine (CID 165050500) is 1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine?
The canonical SMILES for 1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine is CON=C(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine?
The InChIKey is POVUKSYYMGZRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BNO3/c1-19(2)20(3,4)25-21(24-19)17-13-11-16(12-14-17)18(22-23-5)15-9-7-6-8-10-15/h11-15H,6-10H2,1-5H3.
What are the key properties of 1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine?
1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine has a molecular weight of 343.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine is sourced from PubChem (CID 165050500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).