N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine

C14H18N2O — CID 145189101

IUPACN-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine
SMILESC=NC/C=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H18N2O/c1-15-8-2-3-13-4-6-14(7-5-13)16-9-11-17-12-10-16/h2-7H,1,8-12H2/b3-2+
InChIKeySWVFJXWTVMJLSM-NSCUHMNNSA-N
MW230.31 g/mol
LogP2.24
Rot. Bonds4

About N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine

N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine (PubChem CID 145189101) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine
PubChem CID145189101
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine
SMILESC=NC/C=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H18N2O/c1-15-8-2-3-13-4-6-14(7-5-13)16-9-11-17-12-10-16/h2-7H,1,8-12H2/b3-2+
InChIKeySWVFJXWTVMJLSM-NSCUHMNNSA-N
XLogP2.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.24
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': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
4-[4-(3-bromoprop-1-enyl)phenyl]morpholine
CID 169476236
4-[4-(4-azidobut-1-enyl)phenyl]morpholine
CID 170486075
4-[3-(3-azidoprop-1-enyl)phenyl]morpholine
CID 169462503
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
13-[4-[(E)-2-[4,6-bis[(E)-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 132506106
3-(3-morpholin-4-ylphenyl)prop-2-ene-1-thiol
CID 169455965
1-(4-but-1-enylphenyl)aziridine
CID 154114150
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
(E)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1-(4-piperidin-1-ylphenyl)methanimine
CID 172986311
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine?
The IUPAC name of N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine (CID 145189101) is N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine.
What is the SMILES notation for N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine?
The canonical SMILES for N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine is C=NC/C=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine?
The InChIKey is SWVFJXWTVMJLSM-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15-8-2-3-13-4-6-14(7-5-13)16-9-11-17-12-10-16/h2-7H,1,8-12H2/b3-2+.
What are the key properties of N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine?
N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine has a molecular weight of 230.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine is sourced from PubChem (CID 145189101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).