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

C14H20N2O — CID 132515035

IUPACN-butyl-N'-(2-phenylmethoxyethyl)methanediimine
SMILESCCCCN=C=NCCOCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-2-3-9-15-13-16-10-11-17-12-14-7-5-4-6-8-14/h4-8H,2-3,9-12H2,1H3
InChIKeyMTHBCSMURHZMCT-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.18
Rot. Bonds8

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

N-butyl-N'-(2-phenylmethoxyethyl)methanediimine (PubChem CID 132515035) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-butyl-N'-(2-phenylmethoxyethyl)methanediimine.

Molecular Properties

Compound NameN-butyl-N'-(2-phenylmethoxyethyl)methanediimine
PubChem CID132515035
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-butyl-N'-(2-phenylmethoxyethyl)methanediimine
SMILESCCCCN=C=NCCOCc1ccccc1
InChIInChI=1S/C14H20N2O/c1-2-3-9-15-13-16-10-11-17-12-14-7-5-4-6-8-14/h4-8H,2-3,9-12H2,1H3
InChIKeyMTHBCSMURHZMCT-UHFFFAOYSA-N
XLogP3.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine
CID 132515040
butoxymethylbenzene;ethane
CID 145341806
lithium;butoxymethylbenzene;hydride
CID 175482454
azane;hexoxymethylbenzene
CID 174805489
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
butoxymethylbenzene;phenylmethanamine
CID 142079106
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
acetic acid;butoxymethylbenzene
CID 139463153
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(2-phenylmethoxyethyl)methanediimine?
The IUPAC name of N-butyl-N'-(2-phenylmethoxyethyl)methanediimine (CID 132515035) is N-butyl-N'-(2-phenylmethoxyethyl)methanediimine.
What is the SMILES notation for N-butyl-N'-(2-phenylmethoxyethyl)methanediimine?
The canonical SMILES for N-butyl-N'-(2-phenylmethoxyethyl)methanediimine is CCCCN=C=NCCOCc1ccccc1.
What is the InChIKey of N-butyl-N'-(2-phenylmethoxyethyl)methanediimine?
The InChIKey is MTHBCSMURHZMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-9-15-13-16-10-11-17-12-14-7-5-4-6-8-14/h4-8H,2-3,9-12H2,1H3.
What are the key properties of N-butyl-N'-(2-phenylmethoxyethyl)methanediimine?
N-butyl-N'-(2-phenylmethoxyethyl)methanediimine has a molecular weight of 232.33 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2-phenylmethoxyethyl)methanediimine is sourced from PubChem (CID 132515035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).