N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine

C19H22N2O — CID 71097189

IUPACN-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine
SMILESCOc1ccc(-c2ccncc2)cc1/C=N/C1CCCCC1
InChIInChI=1S/C19H22N2O/c1-22-19-8-7-16(15-9-11-20-12-10-15)13-17(19)14-21-18-5-3-2-4-6-18/h7-14,18H,2-6H2,1H3/b21-14+
InChIKeyNRVVVILLFPVMCN-KGENOOAVSA-N
MW294.40 g/mol
LogP4.51
Rot. Bonds4

About N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine

N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine (PubChem CID 71097189) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine
PubChem CID71097189
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine
SMILESCOc1ccc(-c2ccncc2)cc1/C=N/C1CCCCC1
InChIInChI=1S/C19H22N2O/c1-22-19-8-7-16(15-9-11-20-12-10-15)13-17(19)14-21-18-5-3-2-4-6-18/h7-14,18H,2-6H2,1H3/b21-14+
InChIKeyNRVVVILLFPVMCN-KGENOOAVSA-N
XLogP4.51
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine?
The IUPAC name of N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine (CID 71097189) is N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine.
What is the SMILES notation for N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine?
The canonical SMILES for N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine is COc1ccc(-c2ccncc2)cc1/C=N/C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine?
The InChIKey is NRVVVILLFPVMCN-KGENOOAVSA-N. The full InChI is InChI=1S/C19H22N2O/c1-22-19-8-7-16(15-9-11-20-12-10-15)13-17(19)14-21-18-5-3-2-4-6-18/h7-14,18H,2-6H2,1H3/b21-14+.
What are the key properties of N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine?
N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine has a molecular weight of 294.40 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine is sourced from PubChem (CID 71097189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).