hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride

C17H17ClN2 — CID 74764423

IUPAChydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride
SMILESC(=C/C=N/c1ccccc1)\C=C\Nc1ccccc1.[Cl-].[H+]
InChIInChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H/b9-3+,14-8+,19-15+;
InChIKeyVUCMMJBDNXZQDJ-SAIFEKGMSA-N
MW284.79 g/mol
LogP1.69
Rot. Bonds5

About hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride

hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride (PubChem CID 74764423) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride.

Molecular Properties

Compound Namehydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride
PubChem CID74764423
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Namehydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride
SMILESC(=C/C=N/c1ccccc1)\C=C\Nc1ccccc1.[Cl-].[H+]
InChIInChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H/b9-3+,14-8+,19-15+;
InChIKeyVUCMMJBDNXZQDJ-SAIFEKGMSA-N
XLogP1.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N'-Diphenylethylenediamine
CID 67422
N-Cyclohexylaniline
CID 74567
N,N'-Diphenylformamidine
CID 94888
1,3-Dianilinopropane
CID 66916
N-[3-(phenylamino)allylidene]aniline monohydrochloride
CID 119876
Benzenamine, N-(3-(phenylamino)-2-propen-1-ylidene)-, hydrochloride (1:?)
CID 5706364
N-(3-Anilino-2-propenylidene)aniline
CID 119877
N,N'-(1E,3E,5E)-penta-1,3-dien-1-yl-5-ylidenedianiline
CID 5368838
Benzenamine, N-(5-(phenylamino)-2,4-pentadien-1-ylidene)-, hydrochloride (1:1)
CID 5702667
Benzenaminium, N-methyl-N-(5-(methylphenylamino)-2,4-pentadien-1-ylidene)-, chloride (1:1)
CID 6433590
Benzenamine, N-[[2-chloro-3-[(phenylamino)methylene]-1-cyclopenten-1-yl]methylene]-, hydrochloride (1:1)
CID 6454739
[(E)-4-anilinopent-3-en-2-ylidene]-phenylazanium perchlorate
CID 16196060

Frequently Asked Questions

What is the IUPAC name of hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride?
The IUPAC name of hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride (CID 74764423) is hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride.
What is the SMILES notation for hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride?
The canonical SMILES for hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride is C(=C/C=N/c1ccccc1)\C=C\Nc1ccccc1.[Cl-].[H+].
What is the InChIKey of hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride?
The InChIKey is VUCMMJBDNXZQDJ-SAIFEKGMSA-N. The full InChI is InChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H/b9-3+,14-8+,19-15+;.
What are the key properties of hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride?
hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride has a molecular weight of 284.79 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride is sourced from PubChem (CID 74764423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).