dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium

C18H16N+ — CID 154707776

IUPACdimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium
SMILESC[N+](C)=C1C=CC=C/C1=c1\cccc2c1=C=CC=C2
InChIInChI=1S/C18H16N/c1-19(2)18-13-6-5-11-17(18)16-12-7-9-14-8-3-4-10-15(14)16/h3-9,11-13H,1-2H3/q+1/b17-16-
InChIKeyAQBUQFWIUXQOHH-MSUUIHNZSA-N
MW246.33 g/mol
LogP1.64
Rot. Bonds

About dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium

dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium (PubChem CID 154707776) has the molecular formula C18H16N+ and a molecular weight of 246.33 g/mol. Its IUPAC name is dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium
PubChem CID154707776
Molecular FormulaC18H16N+
Molecular Weight246.33 g/mol
Exact Mass246.13
IUPAC Namedimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium
SMILESC[N+](C)=C1C=CC=C/C1=c1\cccc2c1=C=CC=C2
InChIInChI=1S/C18H16N/c1-19(2)18-13-6-5-11-17(18)16-12-7-9-14-8-3-4-10-15(14)16/h3-9,11-13H,1-2H3/q+1/b17-16-
InChIKeyAQBUQFWIUXQOHH-MSUUIHNZSA-N
XLogP1.64
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,4-tetramethyl-3H-quinolin-1-ium
CID 139243634
(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 20672937
2,3-Dihydrobenzo[g]quinoline
CID 21712583
iridium;N-methyl-1-(2-methyl-4,8-dihydro-3H-naphthalen-8-id-1-yl)ethanimine
CID 57687898
N-methyl-1-(8H-naphthalen-8-id-1-yl)ethanimine;platinum
CID 57687915
iridium;N-methyl-1-(2-methyl-8H-naphthalen-8-id-1-yl)ethanimine
CID 57687923
N-methyl-1,5-dihydrophenanthren-5-id-4-imine;platinum
CID 57687928
N-methyl-2-phenylcyclohexa-2,4-dien-1-imine;platinum
CID 57687937
N,N-dimethyl-4-[(1,2,2,4-tetramethyl-7H-quinolin-1-ium-7-id-6-ylidene)amino]benzene-5-id-1-amine;yttrium
CID 58689975
N-methyl-1,1-di(phenyl)methanimine;uranium(2+)
CID 58833585
5-Methyl-2,3-dihydroquinoline
CID 67559344
6-Methyl-2,3-dihydroquinoline
CID 89263431

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium?
The IUPAC name of dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium (CID 154707776) is dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium.
What is the SMILES notation for dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium?
The canonical SMILES for dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium is C[N+](C)=C1C=CC=C/C1=c1\cccc2c1=C=CC=C2.
What is the InChIKey of dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium?
The InChIKey is AQBUQFWIUXQOHH-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H16N/c1-19(2)18-13-6-5-11-17(18)16-12-7-9-14-8-3-4-10-15(14)16/h3-9,11-13H,1-2H3/q+1/b17-16-.
What are the key properties of dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium?
dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium has a molecular weight of 246.33 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium is sourced from PubChem (CID 154707776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).