3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile

C16H23N3O — CID 43779519

IUPAC3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile
SMILESCC(CN1CCOCC1)NC(C)c1cccc(C#N)c1
InChIInChI=1S/C16H23N3O/c1-13(12-19-6-8-20-9-7-19)18-14(2)16-5-3-4-15(10-16)11-17/h3-5,10,13-14,18H,6-9,12H2,1-2H3
InChIKeyJDZNVSNAASOSBQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.93
Rot. Bonds5

About 3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile

3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile (PubChem CID 43779519) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile
PubChem CID43779519
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile
SMILESCC(CN1CCOCC1)NC(C)c1cccc(C#N)c1
InChIInChI=1S/C16H23N3O/c1-13(12-19-6-8-20-9-7-19)18-14(2)16-5-3-4-15(10-16)11-17/h3-5,10,13-14,18H,6-9,12H2,1-2H3
InChIKeyJDZNVSNAASOSBQ-UHFFFAOYSA-N
XLogP1.93
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-methylpentan-2-ylamino)ethyl]benzonitrile
CID 43775771
N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675786
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884
3-[1-(1-phenylethylamino)ethyl]benzonitrile
CID 43755971
N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779473
3-[1-(4-methylsulfanylbutan-2-ylamino)ethyl]benzonitrile
CID 115905872
3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile
CID 43791627
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43783100
3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile
CID 60695641
3-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81364071
3-[1-(3-methylpentan-2-ylamino)ethyl]benzonitrile
CID 54950155
3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile?
The IUPAC name of 3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile (CID 43779519) is 3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile.
What is the SMILES notation for 3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile?
The canonical SMILES for 3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile is CC(CN1CCOCC1)NC(C)c1cccc(C#N)c1.
What is the InChIKey of 3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile?
The InChIKey is JDZNVSNAASOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(12-19-6-8-20-9-7-19)18-14(2)16-5-3-4-15(10-16)11-17/h3-5,10,13-14,18H,6-9,12H2,1-2H3.
What are the key properties of 3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile?
3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile is sourced from PubChem (CID 43779519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).