N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine

C14H20N2O — CID 132515040

IUPACN'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine
SMILESCC(C)(C)N=C=NCCOCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-14(2,3)16-12-15-9-10-17-11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3
InChIKeyVSFXQHJVYQXZIG-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.18
Rot. Bonds5

About N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine

N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine (PubChem CID 132515040) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine
PubChem CID132515040
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine
SMILESCC(C)(C)N=C=NCCOCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-14(2,3)16-12-15-9-10-17-11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3
InChIKeyVSFXQHJVYQXZIG-UHFFFAOYSA-N
XLogP3.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N'-(2-phenylmethoxyethyl)methanediimine
CID 132515035
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986
ethane;2-phenylmethoxyethanamine
CID 142016503
2-azidoethoxymethylbenzene
CID 11116596
2-iodoethoxymethylbenzene
CID 10355314
ethane;phenylmethoxymethylbenzene
CID 90943549
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
1-tert-butyl-2-(4-phenylmethoxybutyl)guanidine
CID 111093625
N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine
CID 130537187
2-methyl-3-oxo-2-(2-phenylmethoxyethyl)butanenitrile
CID 130537416
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine?
The IUPAC name of N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine (CID 132515040) is N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine.
What is the SMILES notation for N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine?
The canonical SMILES for N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine is CC(C)(C)N=C=NCCOCc1ccccc1.
What is the InChIKey of N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine?
The InChIKey is VSFXQHJVYQXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,3)16-12-15-9-10-17-11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine?
N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine has a molecular weight of 232.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine is sourced from PubChem (CID 132515040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).