(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

C23H39N3O — CID 134381120

IUPAC(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
SMILESC/C=C(/C=C(\C=C(/C)CCCN)C(=C/C(=C\C)NC)/CC)N1CCOCC1
InChIInChI=1S/C23H39N3O/c1-6-20(17-22(7-2)25-5)21(16-19(4)10-9-11-24)18-23(8-3)26-12-14-27-15-13-26/h7-8,16-18,25H,6,9-15,24H2,1-5H3/b19-16+,20-17+,21-18+,22-7+,23-8-
InChIKeyMTEGPDHALIMOHR-XKYAULDCSA-N
MW373.59 g/mol
LogP4.29
Rot. Bonds10

About (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

(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 (PubChem CID 134381120) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID134381120
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Name(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
SMILESC/C=C(/C=C(\C=C(/C)CCCN)C(=C/C(=C\C)NC)/CC)N1CCOCC1
InChIInChI=1S/C23H39N3O/c1-6-20(17-22(7-2)25-5)21(16-19(4)10-9-11-24)18-23(8-3)26-12-14-27-15-13-26/h7-8,16-18,25H,6,9-15,24H2,1-5H3/b19-16+,20-17+,21-18+,22-7+,23-8-
InChIKeyMTEGPDHALIMOHR-XKYAULDCSA-N
XLogP4.29
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C/C=C(/C=C(\C=C(/C)CCCN)C(=C/C(=C\C)NC)/CC)N1CCOCC1.
What is the InChIKey of (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?
The InChIKey is MTEGPDHALIMOHR-XKYAULDCSA-N. The full InChI is InChI=1S/C23H39N3O/c1-6-20(17-22(7-2)25-5)21(16-19(4)10-9-11-24)18-23(8-3)26-12-14-27-15-13-26/h7-8,16-18,25H,6,9-15,24H2,1-5H3/b19-16+,20-17+,21-18+,22-7+,23-8-.
What are the key properties of (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?
(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 has a molecular weight of 373.59 g/mol, XLogP of 4.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 134381120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).