N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine

C17H25NO2 — CID 3129817

IUPACN-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/CCC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H25NO2/c1-17(2)12-14(9-11-20-17)8-10-18-13-15-4-6-16(19-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3/b18-13+
InChIKeyTYSWNJMEOLDUIV-QGOAFFKASA-N
MW275.39 g/mol
LogP3.71
Rot. Bonds5

About N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine

N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine (PubChem CID 3129817) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine
PubChem CID3129817
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/CCC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H25NO2/c1-17(2)12-14(9-11-20-17)8-10-18-13-15-4-6-16(19-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3/b18-13+
InChIKeyTYSWNJMEOLDUIV-QGOAFFKASA-N
XLogP3.71
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.71
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-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine (CID 3129817) is N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/CCC2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine?
The InChIKey is TYSWNJMEOLDUIV-QGOAFFKASA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2)12-14(9-11-20-17)8-10-18-13-15-4-6-16(19-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3/b18-13+.
What are the key properties of N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine?
N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine has a molecular weight of 275.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 3129817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).