N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine

C21H29N3O2 — CID 23876396

IUPACN-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine
SMILESCCN(CC)c1ccc(C=C2CCC(C=NO)=C2N2CCOCC2)cc1
InChIInChI=1S/C21H29N3O2/c1-3-23(4-2)20-9-5-17(6-10-20)15-18-7-8-19(16-22-25)21(18)24-11-13-26-14-12-24/h5-6,9-10,15-16,25H,3-4,7-8,11-14H2,1-2H3
InChIKeyVLGFJRLVVDIVQN-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.76
Rot. Bonds6

About N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine

N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine (PubChem CID 23876396) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine
PubChem CID23876396
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine
SMILESCCN(CC)c1ccc(C=C2CCC(C=NO)=C2N2CCOCC2)cc1
InChIInChI=1S/C21H29N3O2/c1-3-23(4-2)20-9-5-17(6-10-20)15-18-7-8-19(16-22-25)21(18)24-11-13-26-14-12-24/h5-6,9-10,15-16,25H,3-4,7-8,11-14H2,1-2H3
InChIKeyVLGFJRLVVDIVQN-UHFFFAOYSA-N
XLogP3.76
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine (CID 23876396) is N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine is CCN(CC)c1ccc(C=C2CCC(C=NO)=C2N2CCOCC2)cc1.
What is the InChIKey of N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine?
The InChIKey is VLGFJRLVVDIVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-23(4-2)20-9-5-17(6-10-20)15-18-7-8-19(16-22-25)21(18)24-11-13-26-14-12-24/h5-6,9-10,15-16,25H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine?
N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine has a molecular weight of 355.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 23876396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).