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

C17H17ClN2 — CID 161064876

IUPACN-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
SMILESC(=C/C=N/c1ccccc1)/C=C/Nc1ccccc1.Cl
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-VOZVYVGNSA-N
MW284.79 g/mol
LogP4.99
Rot. Bonds5

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

N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride (PubChem CID 161064876) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride.

Molecular Properties

Compound NameN-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
PubChem CID161064876
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC NameN-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
SMILESC(=C/C=N/c1ccccc1)/C=C/Nc1ccccc1.Cl
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-VOZVYVGNSA-N
XLogP4.99
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 ≤ 54.99
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

hydron;N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride
CID 174144711
hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride
CID 91997009
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine
CID 10726275
3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline
CID 165343790
4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline
CID 74935118
N-[(1E,3E)-hexa-1,3,5-trienyl]aniline
CID 88563341
5-anilino-2-(phenyliminomethyl)penta-2,4-dienamide;hydrochloride
CID 139802092
N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
CID 156769012
N-phenylpenta-2,4-dien-1-imine
CID 123454989
(Z)-3-phenyliminoprop-1-en-1-amine
CID 118014655
(2E,4E)-N-phenylocta-2,4,7-trien-1-imine
CID 140586611

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride?
The IUPAC name of N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride (CID 161064876) is N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride.
What is the SMILES notation for N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride?
The canonical SMILES for N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride is C(=C/C=N/c1ccccc1)/C=C/Nc1ccccc1.Cl.
What is the InChIKey of N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride?
The InChIKey is VUCMMJBDNXZQDJ-VOZVYVGNSA-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 N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride?
N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride is sourced from PubChem (CID 161064876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).