(E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine

C24H38N4O2 — CID 11362000

IUPAC(E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine
SMILESC=C=C(CN1CCOCC1)C(C)(C)/C=N/N=C/C(C)(C)C(=C=C)CN1CCOCC1
InChIInChI=1S/C24H38N4O2/c1-7-21(17-27-9-13-29-14-10-27)23(3,4)19-25-26-20-24(5,6)22(8-2)18-28-11-15-30-16-12-28/h19-20H,1-2,9-18H2,3-6H3/b25-19+,26-20+
InChIKeyVVOYYRSYWLBKQO-FQHZWJPGSA-N
MW414.59 g/mol
LogP3.18
Rot. Bonds9

About (E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine

(E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine (PubChem CID 11362000) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is (E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine.

Molecular Properties

Compound Name(E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine
PubChem CID11362000
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name(E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine
SMILESC=C=C(CN1CCOCC1)C(C)(C)/C=N/N=C/C(C)(C)C(=C=C)CN1CCOCC1
InChIInChI=1S/C24H38N4O2/c1-7-21(17-27-9-13-29-14-10-27)23(3,4)19-25-26-20-24(5,6)22(8-2)18-28-11-15-30-16-12-28/h19-20H,1-2,9-18H2,3-6H3/b25-19+,26-20+
InChIKeyVVOYYRSYWLBKQO-FQHZWJPGSA-N
XLogP3.18
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine with MolForge

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Related Compounds

N-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]hydroxylamine
CID 131865481
4-(2-methylbuta-2,3-dienyl)morpholine
CID 14891012
ethane;4-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]morpholine
CID 143021023
4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70026725
2-methyl-3-morpholin-4-ylprop-1-en-1-one
CID 87850524
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757490
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
(Z)-2,3-dimethyl-5-morpholin-4-ylpent-3-en-2-ol
CID 101251374

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine?
The IUPAC name of (E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine (CID 11362000) is (E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine.
What is the SMILES notation for (E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine?
The canonical SMILES for (E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine is C=C=C(CN1CCOCC1)C(C)(C)/C=N/N=C/C(C)(C)C(=C=C)CN1CCOCC1.
What is the InChIKey of (E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine?
The InChIKey is VVOYYRSYWLBKQO-FQHZWJPGSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-7-21(17-27-9-13-29-14-10-27)23(3,4)19-25-26-20-24(5,6)22(8-2)18-28-11-15-30-16-12-28/h19-20H,1-2,9-18H2,3-6H3/b25-19+,26-20+.
What are the key properties of (E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine?
(E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine has a molecular weight of 414.59 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-[2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dienylidene]amino]-2,2-dimethyl-3-(morpholin-4-ylmethyl)penta-3,4-dien-1-imine is sourced from PubChem (CID 11362000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).