(E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine

C10H16N2O2 — CID 143305234

IUPAC(E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine
SMILESCC#C/C=N/OCCN1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-2-3-4-11-14-10-7-12-5-8-13-9-6-12/h4H,5-10H2,1H3/b11-4+
InChIKeyIRINLGRKHXBHMT-NYYWCZLTSA-N
MW196.25 g/mol
LogP0.34
Rot. Bonds4

About (E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine

(E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine (PubChem CID 143305234) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine.

Molecular Properties

Compound Name(E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine
PubChem CID143305234
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine
SMILESCC#C/C=N/OCCN1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-2-3-4-11-14-10-7-12-5-8-13-9-6-12/h4H,5-10H2,1H3/b11-4+
InChIKeyIRINLGRKHXBHMT-NYYWCZLTSA-N
XLogP0.34
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;(E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine
CID 143305233
2-chloro-N-(3-morpholin-4-ylpropoxy)ethanimine
CID 87940276
(E)-1-(4-hydrazinylphenyl)-N-(2-morpholin-4-ylethoxy)methanimine
CID 58265610
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
1-(4-hydrazinylphenyl)-N-(2-morpholin-4-ylethoxy)methanimine;hydrochloride
CID 87290774
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
4-(2-ethylperoxyethyl)morpholine
CID 18738549
3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid
CID 173100165
4-[2-(4,4,5,5-tetramethylhexoxy)ethyl]morpholine
CID 138647821
N,N-dimethyl-1-(2-morpholin-4-ylethoxy)ethanamine
CID 123734761
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine?
The IUPAC name of (E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine (CID 143305234) is (E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine.
What is the SMILES notation for (E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine?
The canonical SMILES for (E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine is CC#C/C=N/OCCN1CCOCC1.
What is the InChIKey of (E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine?
The InChIKey is IRINLGRKHXBHMT-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-4-11-14-10-7-12-5-8-13-9-6-12/h4H,5-10H2,1H3/b11-4+.
What are the key properties of (E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine?
(E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine has a molecular weight of 196.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-morpholin-4-ylethoxy)but-2-yn-1-imine is sourced from PubChem (CID 143305234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).