dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium

C18H22N+ — CID 11068146

IUPACdimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium
SMILESCc1cc(C)c2ccc(/C=C/C=[N+](C)C)c-2c(C)c1
InChIInChI=1S/C18H22N/c1-13-11-14(2)17-9-8-16(7-6-10-19(4)5)18(17)15(3)12-13/h6-12H,1-5H3/q+1/b7-6+
InChIKeyBGUJVCLDBXPTSJ-VOTSOKGWSA-N
MW252.38 g/mol
LogP4.07
Rot. Bonds2

About dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium

dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium (PubChem CID 11068146) has the molecular formula C18H22N+ and a molecular weight of 252.38 g/mol. Its IUPAC name is dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium
PubChem CID11068146
Molecular FormulaC18H22N+
Molecular Weight252.38 g/mol
Exact Mass252.17
IUPAC Namedimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium
SMILESCc1cc(C)c2ccc(/C=C/C=[N+](C)C)c-2c(C)c1
InChIInChI=1S/C18H22N/c1-13-11-14(2)17-9-8-16(7-6-10-19(4)5)18(17)15(3)12-13/h6-12H,1-5H3/q+1/b7-6+
InChIKeyBGUJVCLDBXPTSJ-VOTSOKGWSA-N
XLogP4.07
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 54.07
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'}

Analyze dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-sulfanylidene-5-[(4,6,8-trimethylazulen-1-yl)methylidene]-1,3-diazinane-4,6-dione
CID 132515921
1,3,6,8-tetrakis(2,4,6-trimethylphenyl)pyrene
CID 59575113
1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91568934
2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene
CID 173274077
CID 137158148
CID 137158148
1-(2,4-dimethylphenyl)-2,4-dimethylnaphthalene
CID 143438685
1-[(E)-4-chlorobut-1-enyl]-2,4-dimethylbenzene
CID 82076018
5-(2,4,6-trimethylphenyl)benzene-1,2,4-triol
CID 101299568
2-(2,4-dimethylphenyl)-3-phenylcycloprop-2-en-1-one
CID 12708779
2-[6-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58454357
4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione
CID 15109157
4-(2,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82469635

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium?
The IUPAC name of dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium (CID 11068146) is dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium.
What is the SMILES notation for dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium?
The canonical SMILES for dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium is Cc1cc(C)c2ccc(/C=C/C=[N+](C)C)c-2c(C)c1.
What is the InChIKey of dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium?
The InChIKey is BGUJVCLDBXPTSJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H22N/c1-13-11-14(2)17-9-8-16(7-6-10-19(4)5)18(17)15(3)12-13/h6-12H,1-5H3/q+1/b7-6+.
What are the key properties of dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium?
dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium has a molecular weight of 252.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(E)-3-(4,6,8-trimethylazulen-1-yl)prop-2-enylidene]azanium is sourced from PubChem (CID 11068146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).