N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline

C21H27N3 — CID 92530167

IUPACN-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline
SMILESCc1ccc(/C=C\C(=N\Nc2ccccc2)[C@@H](C)CN(C)C)cc1
InChIInChI=1S/C21H27N3/c1-17-10-12-19(13-11-17)14-15-21(18(2)16-24(3)4)23-22-20-8-6-5-7-9-20/h5-15,18,22H,16H2,1-4H3/b15-14-,23-21-/t18-/m0/s1
InChIKeyGOOGVBACIRYQFW-WNMNIRTISA-N
MW321.47 g/mol
LogP4.67
Rot. Bonds7

About N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline

N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline (PubChem CID 92530167) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline
PubChem CID92530167
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC NameN-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline
SMILESCc1ccc(/C=C\C(=N\Nc2ccccc2)[C@@H](C)CN(C)C)cc1
InChIInChI=1S/C21H27N3/c1-17-10-12-19(13-11-17)14-15-21(18(2)16-24(3)4)23-22-20-8-6-5-7-9-20/h5-15,18,22H,16H2,1-4H3/b15-14-,23-21-/t18-/m0/s1
InChIKeyGOOGVBACIRYQFW-WNMNIRTISA-N
XLogP4.67
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.67
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)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride
CID 6514853
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)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
(Z,4R)-1-(4-chlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one
CID 92529470
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline
CID 45146558

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline?
The IUPAC name of N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline (CID 92530167) is N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline is Cc1ccc(/C=C\C(=N\Nc2ccccc2)[C@@H](C)CN(C)C)cc1.
What is the InChIKey of N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline?
The InChIKey is GOOGVBACIRYQFW-WNMNIRTISA-N. The full InChI is InChI=1S/C21H27N3/c1-17-10-12-19(13-11-17)14-15-21(18(2)16-24(3)4)23-22-20-8-6-5-7-9-20/h5-15,18,22H,16H2,1-4H3/b15-14-,23-21-/t18-/m0/s1.
What are the key properties of N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline?
N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline has a molecular weight of 321.47 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline is sourced from PubChem (CID 92530167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).