ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium

C13H22N+ — CID 171089882

IUPACethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium
SMILESC/C=C1/C=C(C)C=CC1=[N+](C)C.CC
InChIInChI=1S/C11H16N.C2H6/c1-5-10-8-9(2)6-7-11(10)12(3)4;1-2/h5-8H,1-4H3;1-2H3/q+1;/b10-5-;
InChIKeyDVECXPKXIQXFEX-WIMVAJRLSA-N
MW192.33 g/mol
LogP3.19
Rot. Bonds

About ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium

ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium (PubChem CID 171089882) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium.

Molecular Properties

Compound Nameethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium
PubChem CID171089882
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Nameethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium
SMILESC/C=C1/C=C(C)C=CC1=[N+](C)C.CC
InChIInChI=1S/C11H16N.C2H6/c1-5-10-8-9(2)6-7-11(10)12(3)4;1-2/h5-8H,1-4H3;1-2H3/q+1;/b10-5-;
InChIKeyDVECXPKXIQXFEX-WIMVAJRLSA-N
XLogP3.19
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.19
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

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
4-Methyl-2,3-dihydroquinoline
CID 68274032
(5-Fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-dimethylazanium
CID 141963440
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
Dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 101015672
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135027828
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135042691
1,2,2,3-tetramethyl-3H-quinolin-1-ium
CID 139243633
dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium
CID 154707776
(6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
CID 162585419

Frequently Asked Questions

What is the IUPAC name of ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium?
The IUPAC name of ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium (CID 171089882) is ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium.
What is the SMILES notation for ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium?
The canonical SMILES for ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium is C/C=C1/C=C(C)C=CC1=[N+](C)C.CC.
What is the InChIKey of ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium?
The InChIKey is DVECXPKXIQXFEX-WIMVAJRLSA-N. The full InChI is InChI=1S/C11H16N.C2H6/c1-5-10-8-9(2)6-7-11(10)12(3)4;1-2/h5-8H,1-4H3;1-2H3/q+1;/b10-5-;.
What are the key properties of ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium?
ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium has a molecular weight of 192.33 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium is sourced from PubChem (CID 171089882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).