tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium

C15H30Cl2NTi- — CID 23232448

IUPACtert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium
SMILESCC1C(C)C(C)C(CC[N-]C(C)(C)C)C1C.Cl[Ti]Cl
InChIInChI=1S/C15H30N.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7;;;/h10-14H,8-9H2,1-7H3;2*1H;/q-1;;;+2/p-2
InChIKeyWRLRWINJKNYXOX-UHFFFAOYSA-L
MW343.19 g/mol
LogP6.10
Rot. Bonds3

About tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium

tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium (PubChem CID 23232448) has the molecular formula C15H30Cl2NTi- and a molecular weight of 343.19 g/mol. Its IUPAC name is tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium.

Molecular Properties

Compound Nametert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium
PubChem CID23232448
Molecular FormulaC15H30Cl2NTi-
Molecular Weight343.19 g/mol
Exact Mass342.12
IUPAC Nametert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium
SMILESCC1C(C)C(C)C(CC[N-]C(C)(C)C)C1C.Cl[Ti]Cl
InChIInChI=1S/C15H30N.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7;;;/h10-14H,8-9H2,1-7H3;2*1H;/q-1;;;+2/p-2
InChIKeyWRLRWINJKNYXOX-UHFFFAOYSA-L
XLogP6.10
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.19
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+)
CID 87935492
tert-butyl(2-tert-butylazanidylethyl)azanide;manganese(2+)
CID 140844875
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
1,2,3,4-tetramethyl-5-(2-methylsulfanylethyl)cyclopentane
CID 155117179
tert-butyl-[methyl-[4-[(2-methylpropan-2-yl)oxy]butyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorotitanium
CID 177129995
1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane
CID 162271583
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
carbanide;methyl-[1-[3-(2,3,4,5-tetramethylcyclopentyl)propylazanidyl]ethyl]azanide;zirconium
CID 59887640
2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 90821165
1,2-dimethyl-3-pentylcyclopropane
CID 524654

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium?
The IUPAC name of tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium (CID 23232448) is tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium.
What is the SMILES notation for tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium?
The canonical SMILES for tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium is CC1C(C)C(C)C(CC[N-]C(C)(C)C)C1C.Cl[Ti]Cl.
What is the InChIKey of tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium?
The InChIKey is WRLRWINJKNYXOX-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H30N.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7;;;/h10-14H,8-9H2,1-7H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium?
tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium has a molecular weight of 343.19 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium is sourced from PubChem (CID 23232448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).