carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+)

C20H33NTi — CID 58351221

IUPACcarbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+)
SMILESCC1C(C)C(C)C(c2cccc3c2[N-]CC3)C1C.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C17H24N.3CH3.Ti/c1-10-11(2)13(4)16(12(10)3)15-7-5-6-14-8-9-18-17(14)15;;;;/h5-7,10-13,16H,8-9H2,1-4H3;3*1H3;/q4*-1;+4
InChIKeySEDNJHRPUXCHBH-UHFFFAOYSA-N
MW335.36 g/mol
LogP6.24
Rot. Bonds1

About carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+)

carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+) (PubChem CID 58351221) has the molecular formula C20H33NTi and a molecular weight of 335.36 g/mol. Its IUPAC name is carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+).

Molecular Properties

Compound Namecarbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+)
PubChem CID58351221
Molecular FormulaC20H33NTi
Molecular Weight335.36 g/mol
Exact Mass335.21
IUPAC Namecarbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+)
SMILESCC1C(C)C(C)C(c2cccc3c2[N-]CC3)C1C.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C17H24N.3CH3.Ti/c1-10-11(2)13(4)16(12(10)3)15-7-5-6-14-8-9-18-17(14)15;;;;/h5-7,10-13,16H,8-9H2,1-4H3;3*1H3;/q4*-1;+4
InChIKeySEDNJHRPUXCHBH-UHFFFAOYSA-N
XLogP6.24
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.36
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

carbanide;hexane-1,6-diol;bis(8-(2,3,4,5-tetramethylcyclopentyl)-3,4-dihydro-2H-quinolin-1-ide);bis(titanium(3+))
CID 140711158
carbanide;1-(2,3,4,5-tetramethylcyclopentyl)phenoxazin-10-ide;titanium(4+)
CID 164704449
8-(2,3,4,5-tetramethylcyclopentyl)-1,2,3,4-tetrahydroquinoline
CID 59229481
8-chloro-6-methylbicyclo[3.2.1]octa-1(8),2,4-triene
CID 54053065
methane;2-methyl-2,3-dihydro-1H-indene
CID 142040721
6-bromo-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;2-tert-butyl-8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;carbanide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2,5-dimethyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-ethyl-3,4-dihydro-2H-quinolin-1-ide;7-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-2,3-dihydroindol-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-ide;8-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-6-methyl-3,4-dihydro-2H-quinolin-1-ide;nonakis(titanium(4+))
CID 162286330
4,9-dimethyl-4,5,9,10-tetrahydropyrene
CID 162152036
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
potassium 2,3-dihydroindol-1-ide
CID 162731101
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 6429796
2,3-dihydro-1H-indene;2-methyl-2,3-dihydro-1H-indene
CID 159163740

Frequently Asked Questions

What is the IUPAC name of carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+)?
The IUPAC name of carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+) (CID 58351221) is carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+).
What is the SMILES notation for carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+)?
The canonical SMILES for carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+) is CC1C(C)C(C)C(c2cccc3c2[N-]CC3)C1C.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+)?
The InChIKey is SEDNJHRPUXCHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N.3CH3.Ti/c1-10-11(2)13(4)16(12(10)3)15-7-5-6-14-8-9-18-17(14)15;;;;/h5-7,10-13,16H,8-9H2,1-4H3;3*1H3;/q4*-1;+4.
What are the key properties of carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+)?
carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+) has a molecular weight of 335.36 g/mol, XLogP of 6.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;7-(2,3,4,5-tetramethylcyclopentyl)-2,3-dihydroindol-1-ide;titanium(4+) is sourced from PubChem (CID 58351221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).