N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline

C15H22N2O — CID 30981297

IUPACN,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
SMILESCN(C)c1ccc(/C=C/CN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O/c1-16(2)15-7-5-14(6-8-15)4-3-9-17-10-12-18-13-11-17/h3-8H,9-13H2,1-2H3/b4-3+
InChIKeyPCSCBFBHLUAUTB-ONEGZZNKSA-N
MW246.35 g/mol
LogP2.10
Rot. Bonds4

About N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline

N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline (PubChem CID 30981297) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
PubChem CID30981297
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
SMILESCN(C)c1ccc(/C=C/CN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O/c1-16(2)15-7-5-14(6-8-15)4-3-9-17-10-12-18-13-11-17/h3-8H,9-13H2,1-2H3/b4-3+
InChIKeyPCSCBFBHLUAUTB-ONEGZZNKSA-N
XLogP2.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
CID 143719420
4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 121451952
N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline
CID 30981978
4-[3-(3,5-dimethylpiperidin-1-yl)prop-1-enyl]-N,N-dimethylaniline
CID 2845639
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-(4-bromophenyl)-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol
CID 30981687
4-[(E)-3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline
CID 44587383
ethyl 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidine-4-carboxylate
CID 782562
1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine
CID 66694812
4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline
CID 59746476
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline (CID 30981297) is N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline is CN(C)c1ccc(/C=C/CN2CCOCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline?
The InChIKey is PCSCBFBHLUAUTB-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16(2)15-7-5-14(6-8-15)4-3-9-17-10-12-18-13-11-17/h3-8H,9-13H2,1-2H3/b4-3+.
What are the key properties of N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline?
N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline has a molecular weight of 246.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline is sourced from PubChem (CID 30981297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).