N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline

C21H30N4O — CID 3725515

IUPACN,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline
SMILESCCN(CC)c1ccc(C=C2CCC(C=NN)=C2N2CCOCC2)cc1
InChIInChI=1S/C21H30N4O/c1-3-24(4-2)20-9-5-17(6-10-20)15-18-7-8-19(16-23-22)21(18)25-11-13-26-14-12-25/h5-6,9-10,15-16H,3-4,7-8,11-14,22H2,1-2H3
InChIKeyWKWBLESKNUGSMS-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.24
Rot. Bonds6

About N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline

N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline (PubChem CID 3725515) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline
PubChem CID3725515
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline
SMILESCCN(CC)c1ccc(C=C2CCC(C=NN)=C2N2CCOCC2)cc1
InChIInChI=1S/C21H30N4O/c1-3-24(4-2)20-9-5-17(6-10-20)15-18-7-8-19(16-23-22)21(18)25-11-13-26-14-12-25/h5-6,9-10,15-16H,3-4,7-8,11-14,22H2,1-2H3
InChIKeyWKWBLESKNUGSMS-UHFFFAOYSA-N
XLogP3.24
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.24
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': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine
CID 23876396
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
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-[(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
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
CID 4829730
(3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide
CID 75408561
3-[[4-(diethylamino)phenyl]methylidene]-N-di(piperidin-1-yl)phosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide
CID 3406499
(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde
CID 2322917
1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea
CID 129432047
N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide
CID 6158019

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline?
The IUPAC name of N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline (CID 3725515) is N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline is CCN(CC)c1ccc(C=C2CCC(C=NN)=C2N2CCOCC2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline?
The InChIKey is WKWBLESKNUGSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-24(4-2)20-9-5-17(6-10-20)15-18-7-8-19(16-23-22)21(18)25-11-13-26-14-12-25/h5-6,9-10,15-16H,3-4,7-8,11-14,22H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline?
N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline has a molecular weight of 354.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline is sourced from PubChem (CID 3725515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).