N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide

C24H32N6O2 — CID 92856210

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
SMILESCN(C)c1ccc(/C=N\NC(=O)CCCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H32N6O2/c1-29(2)21-13-9-19(10-14-21)17-25-27-23(31)7-5-6-8-24(32)28-26-18-20-11-15-22(16-12-20)30(3)4/h9-18H,5-8H2,1-4H3,(H,27,31)(H,28,32)/b25-17-,26-18+
InChIKeyLZDPNPOQTNNHAC-WTHRLWDASA-N
MW436.56 g/mol
LogP2.98
Rot. Bonds11

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide (PubChem CID 92856210) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
PubChem CID92856210
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
SMILESCN(C)c1ccc(/C=N\NC(=O)CCCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H32N6O2/c1-29(2)21-13-9-19(10-14-21)17-25-27-23(31)7-5-6-8-24(32)28-26-18-20-11-15-22(16-12-20)30(3)4/h9-18H,5-8H2,1-4H3,(H,27,31)(H,28,32)/b25-17-,26-18+
InChIKeyLZDPNPOQTNNHAC-WTHRLWDASA-N
XLogP2.98
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245734
N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 171981399
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-(thiaselenolan-3-yl)pentanamide
CID 71770245
N-cyclohexyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 51064202
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
CID 6067365
N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 5229962
6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
CID 44621714
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide (CID 92856210) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide is CN(C)c1ccc(/C=N\NC(=O)CCCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide?
The InChIKey is LZDPNPOQTNNHAC-WTHRLWDASA-N. The full InChI is InChI=1S/C24H32N6O2/c1-29(2)21-13-9-19(10-14-21)17-25-27-23(31)7-5-6-8-24(32)28-26-18-20-11-15-22(16-12-20)30(3)4/h9-18H,5-8H2,1-4H3,(H,27,31)(H,28,32)/b25-17-,26-18+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide has a molecular weight of 436.56 g/mol, XLogP of 2.98, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide is sourced from PubChem (CID 92856210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).