4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride

C19H25ClN4O — CID 119057126

IUPAC4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-3-23(4-2)18-11-7-16(8-12-18)14-21-22-19(24)17-9-5-15(13-20)6-10-17;/h5-12,14H,3-4,13,20H2,1-2H3,(H,22,24);1H/b21-14+;
InChIKeyFXSYPUHQAVLSLZ-UNLLECTCSA-N
MW360.89 g/mol
LogP3.18
Rot. Bonds7

About 4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride

4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride (PubChem CID 119057126) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
PubChem CID119057126
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-3-23(4-2)18-11-7-16(8-12-18)14-21-22-19(24)17-9-5-15(13-20)6-10-17;/h5-12,14H,3-4,13,20H2,1-2H3,(H,22,24);1H/b21-14+;
InChIKeyFXSYPUHQAVLSLZ-UNLLECTCSA-N
XLogP3.18
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide
CID 164880540
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 43879574
N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647545

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride (CID 119057126) is 4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN)cc2)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride?
The InChIKey is FXSYPUHQAVLSLZ-UNLLECTCSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-3-23(4-2)18-11-7-16(8-12-18)14-21-22-19(24)17-9-5-15(13-20)6-10-17;/h5-12,14H,3-4,13,20H2,1-2H3,(H,22,24);1H/b21-14+;.
What are the key properties of 4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride?
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride is sourced from PubChem (CID 119057126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).