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

C20H25N3 — CID 92530142

IUPACN-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline
SMILESC[C@@H](CN(C)C)C(/C=C\c1ccccc1)=N\Nc1ccccc1
InChIInChI=1S/C20H25N3/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/b15-14-,22-20-/t17-/m0/s1
InChIKeyTXBAASCQNLBKGH-HKDAAGMHSA-N
MW307.44 g/mol
LogP4.37
Rot. Bonds7

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

N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline (PubChem CID 92530142) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline
PubChem CID92530142
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline
SMILESC[C@@H](CN(C)C)C(/C=C\c1ccccc1)=N\Nc1ccccc1
InChIInChI=1S/C20H25N3/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/b15-14-,22-20-/t17-/m0/s1
InChIKeyTXBAASCQNLBKGH-HKDAAGMHSA-N
XLogP4.37
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.37
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)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride
CID 6514853
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)-[(Z)-5-(dimethylamino)-1-phenylpent-1-en-3-ylidene]amino]aniline
CID 92530730
N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride
CID 50988749
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
N-[(E)-[(E)-4-(3-bromophenyl)but-3-en-2-ylidene]amino]aniline
CID 135079698
4-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]benzoic acid
CID 5378098
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
(E)-N,N-dimethyl-3-phenylprop-2-eneselenoamide
CID 11096649
N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline?
The IUPAC name of N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline (CID 92530142) is N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline is C[C@@H](CN(C)C)C(/C=C\c1ccccc1)=N\Nc1ccccc1.
What is the InChIKey of N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline?
The InChIKey is TXBAASCQNLBKGH-HKDAAGMHSA-N. The full InChI is InChI=1S/C20H25N3/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/b15-14-,22-20-/t17-/m0/s1.
What are the key properties of N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline?
N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline has a molecular weight of 307.44 g/mol, XLogP of 4.37, 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-phenylpent-1-en-3-ylidene]amino]aniline is sourced from PubChem (CID 92530142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).