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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Related Compounds

N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline
CID 3725515
3,4-dichloro-N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]aniline
CID 42917264
N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline
CID 92954270
N,N-diethyl-4-[[2-morpholin-4-yl-3-[[[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline
CID 4194976
N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(E)-[(E)-(2-morpholin-4-yl-3-phenylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline
CID 167968917
2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 154774464
(3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide
CID 75408561
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
CID 4829730
3-[[4-(diethylamino)phenyl]methylidene]-N-di(piperidin-1-yl)phosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide
CID 3406499
1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea
CID 129432047
(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde
CID 2322917
1-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-3-phenylthiourea
CID 7041326

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).