dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium

C19H25N2+ — CID 2770749

IUPACdimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium
SMILESCN1C(=CC=CC=CC=[N+](C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C19H25N2/c1-19(2)16-12-9-10-13-17(16)21(5)18(19)14-8-6-7-11-15-20(3)4/h6-15H,1-5H3/q+1
InChIKeyBKLFNFFYHHGTTQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.75
Rot. Bonds3

About dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium

dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium (PubChem CID 2770749) has the molecular formula C19H25N2+ and a molecular weight of 281.42 g/mol. Its IUPAC name is dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium.

Molecular Properties

Compound Namedimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium
PubChem CID2770749
Molecular FormulaC19H25N2+
Molecular Weight281.42 g/mol
Exact Mass281.20
IUPAC Namedimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium
SMILESCN1C(=CC=CC=CC=[N+](C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C19H25N2/c1-19(2)16-12-9-10-13-17(16)21(5)18(19)14-8-6-7-11-15-20(3)4/h6-15H,1-5H3/q+1
InChIKeyBKLFNFFYHHGTTQ-UHFFFAOYSA-N
XLogP3.75
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
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

dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate
CID 73448945
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
(2E,4E,6Z)-2-methyl-6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienal
CID 102091783
1,3,3-trimethyl-2-[5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indole
CID 59954019
1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole
CID 59902058
1,3,3-trimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole chloride
CID 73182634
(E,1E,5E)-1,5-bis(1,3,3-trimethylindol-2-ylidene)pent-3-en-2-one
CID 44669507
(4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 72728773
(2E,4E,6E,8Z)-4-methyl-8-(1,3,3-trimethylindol-2-ylidene)octa-2,4,6-trienal
CID 102091780
3-methyl-2-[(1E,3E,5E)-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]-1,3-benzothiazol-3-ium
CID 177431281
(2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethyl-1,2-dihydroindol-1-ium-2-yl)prop-2-enylidene]indole
CID 176780302

Frequently Asked Questions

What is the IUPAC name of dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium?
The IUPAC name of dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium (CID 2770749) is dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium.
What is the SMILES notation for dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium?
The canonical SMILES for dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium is CN1C(=CC=CC=CC=[N+](C)C)C(C)(C)c2ccccc21.
What is the InChIKey of dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium?
The InChIKey is BKLFNFFYHHGTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2/c1-19(2)16-12-9-10-13-17(16)21(5)18(19)14-8-6-7-11-15-20(3)4/h6-15H,1-5H3/q+1.
What are the key properties of dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium?
dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium has a molecular weight of 281.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium is sourced from PubChem (CID 2770749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).