N-(1-adamantyl)-1-(4-chlorophenyl)methanimine

C17H20ClN — CID 584864

IUPACN-(1-adamantyl)-1-(4-chlorophenyl)methanimine
SMILESClc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H20ClN/c18-16-3-1-12(2-4-16)11-19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,11,13-15H,5-10H2/b19-11+
InChIKeyDABARJCEYUKZCZ-YBFXNURJSA-N
MW273.81 g/mol
LogP4.73
Rot. Bonds2

About N-(1-adamantyl)-1-(4-chlorophenyl)methanimine

N-(1-adamantyl)-1-(4-chlorophenyl)methanimine (PubChem CID 584864) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(4-chlorophenyl)methanimine.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(4-chlorophenyl)methanimine
PubChem CID584864
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-(1-adamantyl)-1-(4-chlorophenyl)methanimine
SMILESClc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H20ClN/c18-16-3-1-12(2-4-16)11-19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,11,13-15H,5-10H2/b19-11+
InChIKeyDABARJCEYUKZCZ-YBFXNURJSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1-adamantyl)-1-(4-chlorophenyl)methanimine?
The IUPAC name of N-(1-adamantyl)-1-(4-chlorophenyl)methanimine (CID 584864) is N-(1-adamantyl)-1-(4-chlorophenyl)methanimine.
What is the SMILES notation for N-(1-adamantyl)-1-(4-chlorophenyl)methanimine?
The canonical SMILES for N-(1-adamantyl)-1-(4-chlorophenyl)methanimine is Clc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantyl)-1-(4-chlorophenyl)methanimine?
The InChIKey is DABARJCEYUKZCZ-YBFXNURJSA-N. The full InChI is InChI=1S/C17H20ClN/c18-16-3-1-12(2-4-16)11-19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,11,13-15H,5-10H2/b19-11+.
What are the key properties of N-(1-adamantyl)-1-(4-chlorophenyl)methanimine?
N-(1-adamantyl)-1-(4-chlorophenyl)methanimine has a molecular weight of 273.81 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(4-chlorophenyl)methanimine is sourced from PubChem (CID 584864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).