4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine

C25H37N3O — CID 144748050

IUPAC4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine
SMILESC=C/C(C)=C(\CN1CCOCC1)N1C=C(C2=CCCC=C2)C=CC1=C.CCNC
InChIInChI=1S/C22H28N2O.C3H9N/c1-4-18(2)22(17-23-12-14-25-15-13-23)24-16-21(11-10-19(24)3)20-8-6-5-7-9-20;1-3-4-2/h4,6,8-11,16H,1,3,5,7,12-15,17H2,2H3;4H,3H2,1-2H3/b22-18+;
InChIKeyIPIKRMIMMJXVIE-MLWJBJAVSA-N
MW395.59 g/mol
LogP4.55
Rot. Bonds6

About 4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine

4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine (PubChem CID 144748050) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is 4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine.

Molecular Properties

Compound Name4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine
PubChem CID144748050
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine
SMILESC=C/C(C)=C(\CN1CCOCC1)N1C=C(C2=CCCC=C2)C=CC1=C.CCNC
InChIInChI=1S/C22H28N2O.C3H9N/c1-4-18(2)22(17-23-12-14-25-15-13-23)24-16-21(11-10-19(24)3)20-8-6-5-7-9-20;1-3-4-2/h4,6,8-11,16H,1,3,5,7,12-15,17H2,2H3;4H,3H2,1-2H3/b22-18+;
InChIKeyIPIKRMIMMJXVIE-MLWJBJAVSA-N
XLogP4.55
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine
CID 70333386
(3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine
CID 89355297
(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine
CID 118146494
(3Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine
CID 134340683
(4E,6E,7E,9E)-7-ethyl-9-N,4-dimethyl-6-[(Z)-2-morpholin-4-ylbut-2-enylidene]undeca-4,7,9-triene-1,9-diamine
CID 134381120
N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine
CID 142099637
4-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]morpholine
CID 142300476
(3Z,5Z)-N,4-dimethyl-2-morpholin-4-ylhepta-3,5-dien-3-amine
CID 142300770
4-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethenyl]morpholine
CID 142300925
ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine
CID 142345364
1,5-dimethyl-N-(2-morpholin-4-ylethyl)-2H-pyridin-3-amine;ethane
CID 142345398
2-N-[2-(diethylamino)-2-methoxyethyl]-5-(4-ethyl-2-methylpiperazin-1-yl)-4-methylcyclohepta-1,3,5-triene-1,2-diamine;ethane
CID 142828340

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine?
The IUPAC name of 4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine (CID 144748050) is 4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine.
What is the SMILES notation for 4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine?
The canonical SMILES for 4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine is C=C/C(C)=C(\CN1CCOCC1)N1C=C(C2=CCCC=C2)C=CC1=C.CCNC.
What is the InChIKey of 4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine?
The InChIKey is IPIKRMIMMJXVIE-MLWJBJAVSA-N. The full InChI is InChI=1S/C22H28N2O.C3H9N/c1-4-18(2)22(17-23-12-14-25-15-13-23)24-16-21(11-10-19(24)3)20-8-6-5-7-9-20;1-3-4-2/h4,6,8-11,16H,1,3,5,7,12-15,17H2,2H3;4H,3H2,1-2H3/b22-18+;.
What are the key properties of 4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine?
4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine has a molecular weight of 395.59 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-(5-cyclohexa-1,5-dien-1-yl-2-methylidene-1-pyridinyl)-3-methylpenta-2,4-dienyl]morpholine;N-methylethanamine is sourced from PubChem (CID 144748050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).