1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine

C34H38N4O2 — CID 4829730

IUPAC1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
SMILESC(=NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1
InChIInChI=1S/C34H38N4O2/c1-3-7-27(8-4-1)23-29-11-13-31(33(29)37-15-19-39-20-16-37)25-35-36-26-32-14-12-30(24-28-9-5-2-6-10-28)34(32)38-17-21-40-22-18-38/h1-10,23-26H,11-22H2
InChIKeyUQUNROSUHFSNOY-UHFFFAOYSA-N
MW534.70 g/mol
LogP5.97
Rot. Bonds7

About 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine

1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine (PubChem CID 4829730) has the molecular formula C34H38N4O2 and a molecular weight of 534.70 g/mol. Its IUPAC name is 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine.

Molecular Properties

Compound Name1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
PubChem CID4829730
Molecular FormulaC34H38N4O2
Molecular Weight534.70 g/mol
Exact Mass534.30
IUPAC Name1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
SMILESC(=NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1
InChIInChI=1S/C34H38N4O2/c1-3-7-27(8-4-1)23-29-11-13-31(33(29)37-15-19-39-20-16-37)25-35-36-26-32-14-12-30(24-28-9-5-2-6-10-28)34(32)38-17-21-40-22-18-38/h1-10,23-26H,11-22H2
InChIKeyUQUNROSUHFSNOY-UHFFFAOYSA-N
XLogP5.97
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 55.97
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine?
The IUPAC name of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine (CID 4829730) is 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine.
What is the SMILES notation for 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine?
The canonical SMILES for 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine is C(=NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1.
What is the InChIKey of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine?
The InChIKey is UQUNROSUHFSNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O2/c1-3-7-27(8-4-1)23-29-11-13-31(33(29)37-15-19-39-20-16-37)25-35-36-26-32-14-12-30(24-28-9-5-2-6-10-28)34(32)38-17-21-40-22-18-38/h1-10,23-26H,11-22H2.
What are the key properties of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine?
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine has a molecular weight of 534.70 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine is sourced from PubChem (CID 4829730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).