8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium

C16H21N2+ — CID 123995798

IUPAC8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium
SMILESCC(C=CC=CC=CNc1ccccc1)=[N+](C)C
InChIInChI=1S/C16H20N2/c1-15(18(2)3)11-7-4-5-10-14-17-16-12-8-6-9-13-16/h4-14H,1-3H3/p+1
InChIKeyBVIBCGRDZODPJH-UHFFFAOYSA-O
MW241.36 g/mol
LogP3.46
Rot. Bonds5

About 8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium

8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium (PubChem CID 123995798) has the molecular formula C16H21N2+ and a molecular weight of 241.36 g/mol. Its IUPAC name is 8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium.

Molecular Properties

Compound Name8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium
PubChem CID123995798
Molecular FormulaC16H21N2+
Molecular Weight241.36 g/mol
Exact Mass241.17
IUPAC Name8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium
SMILESCC(C=CC=CC=CNc1ccccc1)=[N+](C)C
InChIInChI=1S/C16H20N2/c1-15(18(2)3)11-7-4-5-10-14-17-16-12-8-6-9-13-16/h4-14H,1-3H3/p+1
InChIKeyBVIBCGRDZODPJH-UHFFFAOYSA-O
XLogP3.46
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
N-[(1E,3E)-hexa-1,3,5-trienyl]aniline
CID 88563341
N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline
CID 143914074
benzene;bis(N-prop-1-enylaniline)
CID 70363490
2-anilinoethenol
CID 154058037
N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
CID 161064876
hydron;N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride
CID 174144711
dimethyl 2-(3-anilinoprop-2-enylidene)propanedioate
CID 72578596
N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
CID 156769012
(Z)-3-anilinoprop-2-enamide
CID 143937122
(Z)-N'-[(E)-3,4-dimethylhex-4-en-2-yl]-N'-methyl-N-phenylethene-1,2-diamine
CID 126659367
N-[(1E,3E)-4-tert-butylhexa-1,3,5-trienyl]aniline
CID 118027593

Frequently Asked Questions

What is the IUPAC name of 8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium?
The IUPAC name of 8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium (CID 123995798) is 8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium.
What is the SMILES notation for 8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium?
The canonical SMILES for 8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium is CC(C=CC=CC=CNc1ccccc1)=[N+](C)C.
What is the InChIKey of 8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium?
The InChIKey is BVIBCGRDZODPJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20N2/c1-15(18(2)3)11-7-4-5-10-14-17-16-12-8-6-9-13-16/h4-14H,1-3H3/p+1.
What are the key properties of 8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium?
8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium has a molecular weight of 241.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilinoocta-3,5,7-trien-2-ylidene(dimethyl)azanium is sourced from PubChem (CID 123995798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).