morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline

C17H26N2O2 — CID 143445268

IUPACmorpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1ccc(N(C)C)cc1C.O=CN1CCOCC1
InChIInChI=1S/C12H17N.C5H9NO2/c1-5-6-11-7-8-12(13(3)4)9-10(11)2;7-5-6-1-3-8-4-2-6/h5-9H,1-4H3;5H,1-4H2/b6-5+;
InChIKeyKRYWFCINSMNYQW-IPZCTEOASA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds3

About morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline

morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline (PubChem CID 143445268) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline.

Molecular Properties

Compound Namemorpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline
PubChem CID143445268
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namemorpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1ccc(N(C)C)cc1C.O=CN1CCOCC1
InChIInChI=1S/C12H17N.C5H9NO2/c1-5-6-11-7-8-12(13(3)4)9-10(11)2;7-5-6-1-3-8-4-2-6/h5-9H,1-4H3;5H,1-4H2/b6-5+;
InChIKeyKRYWFCINSMNYQW-IPZCTEOASA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
CID 86143378
(E)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 60703625
N,N,3-trimethyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline
CID 10736756
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde
CID 143736832
4-[(dimethylhydrazinylidene)methyl]-N,N,3-trimethylaniline
CID 59931546
ethane;1-oxo-1,4-thiazinane-4-carbaldehyde;N,N,3-trimethylaniline
CID 169106960
N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide
CID 111815028
3-[5-(dimethylamino)-2-methylphenyl]prop-2-enal
CID 174475918
ethane;(E)-3-(2-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 144503557
N,N,3,4-tetramethylaniline
CID 12595466
[4-(dimethylamino)phenyl]-(4-morpholin-4-ylphenyl)methanone
CID 101130657

Frequently Asked Questions

What is the IUPAC name of morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline?
The IUPAC name of morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline (CID 143445268) is morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline.
What is the SMILES notation for morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline?
The canonical SMILES for morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline is C/C=C/c1ccc(N(C)C)cc1C.O=CN1CCOCC1.
What is the InChIKey of morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline?
The InChIKey is KRYWFCINSMNYQW-IPZCTEOASA-N. The full InChI is InChI=1S/C12H17N.C5H9NO2/c1-5-6-11-7-8-12(13(3)4)9-10(11)2;7-5-6-1-3-8-4-2-6/h5-9H,1-4H3;5H,1-4H2/b6-5+;.
What are the key properties of morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline?
morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline has a molecular weight of 290.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carbaldehyde;N,N,3-trimethyl-4-[(E)-prop-1-enyl]aniline is sourced from PubChem (CID 143445268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).