N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride

C20H26ClN3 — CID 6514853

IUPACN-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride
SMILESCC(CN(C)C)C(/C=C/c1ccccc1)=N\Nc1ccccc1.Cl
InChIInChI=1S/C20H25N3.ClH/c1-17(16-23(2)3)20(15-14-18-10-6-4-7-11-18)22-21-19-12-8-5-9-13-19;/h4-15,17,21H,16H2,1-3H3;1H/b15-14+,22-20-;
InChIKeyZSWCDUGCDQTNQP-WCLHPINPSA-N
MW343.90 g/mol
LogP4.79
Rot. Bonds7

About N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride

N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride (PubChem CID 6514853) has the molecular formula C20H26ClN3 and a molecular weight of 343.90 g/mol. Its IUPAC name is N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride.

Molecular Properties

Compound NameN-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride
PubChem CID6514853
Molecular FormulaC20H26ClN3
Molecular Weight343.90 g/mol
Exact Mass343.18
IUPAC NameN-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride
SMILESCC(CN(C)C)C(/C=C/c1ccccc1)=N\Nc1ccccc1.Cl
InChIInChI=1S/C20H25N3.ClH/c1-17(16-23(2)3)20(15-14-18-10-6-4-7-11-18)22-21-19-12-8-5-9-13-19;/h4-15,17,21H,16H2,1-3H3;1H/b15-14+,22-20-;
InChIKeyZSWCDUGCDQTNQP-WCLHPINPSA-N
XLogP4.79
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline
CID 92530142
N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline
CID 92530167
N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide
CID 92530158
N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride
CID 50988749
N-[(Z)-[(Z)-5-(dimethylamino)-1-phenylpent-1-en-3-ylidene]amino]aniline
CID 92530730
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline
CID 2750014
(E)-4-[(dimethylamino)methyl]-1-phenyloct-1-en-3-one;hydrochloride
CID 6515068
4-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]benzoic acid
CID 5378098
N-[(E)-[(E)-4-(3-bromophenyl)but-3-en-2-ylidene]amino]aniline
CID 135079698
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
(E)-4-[(dimethylamino)methyl]-1-phenylnon-1-en-3-one;hydrochloride
CID 6440190

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride?
The IUPAC name of N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride (CID 6514853) is N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride.
What is the SMILES notation for N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride?
The canonical SMILES for N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride is CC(CN(C)C)C(/C=C/c1ccccc1)=N\Nc1ccccc1.Cl.
What is the InChIKey of N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride?
The InChIKey is ZSWCDUGCDQTNQP-WCLHPINPSA-N. The full InChI is InChI=1S/C20H25N3.ClH/c1-17(16-23(2)3)20(15-14-18-10-6-4-7-11-18)22-21-19-12-8-5-9-13-19;/h4-15,17,21H,16H2,1-3H3;1H/b15-14+,22-20-;.
What are the key properties of N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride?
N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride is sourced from PubChem (CID 6514853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).