5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile

C14H17N3O2 — CID 173164163

IUPAC5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile
SMILESN#Cc1cc(C=O)ccc1NCCN1CCOCC1
InChIInChI=1S/C14H17N3O2/c15-10-13-9-12(11-18)1-2-14(13)16-3-4-17-5-7-19-8-6-17/h1-2,9,11,16H,3-8H2
InChIKeyWZVZHBCGJKURAB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.11
Rot. Bonds5

About 5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile

5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile (PubChem CID 173164163) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile.

Molecular Properties

Compound Name5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile
PubChem CID173164163
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile
SMILESN#Cc1cc(C=O)ccc1NCCN1CCOCC1
InChIInChI=1S/C14H17N3O2/c15-10-13-9-12(11-18)1-2-14(13)16-3-4-17-5-7-19-8-6-17/h1-2,9,11,16H,3-8H2
InChIKeyWZVZHBCGJKURAB-UHFFFAOYSA-N
XLogP1.11
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107927013
5-nitro-2-[3-(1,4-oxazepan-4-yl)propylamino]benzonitrile
CID 139017550
5-(2-morpholin-4-ylethylamino)-2-nitrobenzonitrile
CID 115348699
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 107106367
5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile
CID 114017441
2-methyl-6-(2-morpholin-4-ylethylamino)benzonitrile
CID 114003078
4-[2-(4-methylpiperazin-1-yl)ethylamino]-3-nitrobenzaldehyde
CID 115279399
2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 175901236
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857711
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
2-chloro-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 28904413

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile?
The IUPAC name of 5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile (CID 173164163) is 5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile.
What is the SMILES notation for 5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile?
The canonical SMILES for 5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile is N#Cc1cc(C=O)ccc1NCCN1CCOCC1.
What is the InChIKey of 5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile?
The InChIKey is WZVZHBCGJKURAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-10-13-9-12(11-18)1-2-14(13)16-3-4-17-5-7-19-8-6-17/h1-2,9,11,16H,3-8H2.
What are the key properties of 5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile?
5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile has a molecular weight of 259.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile is sourced from PubChem (CID 173164163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).