N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine

C16H22N4O2 — CID 90815907

IUPACN-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine
SMILESC=C/C=N/c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C16H22N4O2/c1-2-3-17-14-12-15(19-4-8-21-9-5-19)18-16(13-14)20-6-10-22-11-7-20/h2-3,12-13H,1,4-11H2/b17-3+
InChIKeyJMGUABXVEMSRDQ-IJUHEHPCSA-N
MW302.38 g/mol
LogP1.64
Rot. Bonds4

About N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine

N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine (PubChem CID 90815907) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine
PubChem CID90815907
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine
SMILESC=C/C=N/c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C16H22N4O2/c1-2-3-17-14-12-15(19-4-8-21-9-5-19)18-16(13-14)20-6-10-22-11-7-20/h2-3,12-13H,1,4-11H2/b17-3+
InChIKeyJMGUABXVEMSRDQ-IJUHEHPCSA-N
XLogP1.64
TPSA50.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6-ethenyl-2-methoxypyrimidin-4-yl)morpholine
CID 15869492
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine
CID 59292396
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
ethane;4-(6-fluoro-4-methyl-2-pyridinyl)morpholine
CID 155700248
2-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)ethanamine
CID 83852725
9-ethenyl-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 164600757
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine
CID 162764791
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 137130492

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine?
The IUPAC name of N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine (CID 90815907) is N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine.
What is the SMILES notation for N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine?
The canonical SMILES for N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine is C=C/C=N/c1cc(N2CCOCC2)nc(N2CCOCC2)c1.
What is the InChIKey of N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine?
The InChIKey is JMGUABXVEMSRDQ-IJUHEHPCSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-3-17-14-12-15(19-4-8-21-9-5-19)18-16(13-14)20-6-10-22-11-7-20/h2-3,12-13H,1,4-11H2/b17-3+.
What are the key properties of N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine?
N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine has a molecular weight of 302.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimorpholin-4-yl-4-pyridinyl)prop-2-en-1-imine is sourced from PubChem (CID 90815907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).