tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)

C27H51N6Ti — CID 59137868

IUPACtris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)
SMILESCC/N=C(C)/C=C(/C)[N-]CC.CC/N=C(C)/C=C(/C)[N-]CC.CC/N=C(C)/C=C(/C)[N-]CC.[Ti+3]
InChIInChI=1S/3C9H17N2.Ti/c3*1-5-10-8(3)7-9(4)11-6-2;/h3*7H,5-6H2,1-4H3;/q3*-1;+3/b3*8-7-,11-9+;
InChIKeyFXZFEWQDDVDQHD-PQTNGAKGSA-N
MW507.61 g/mol
LogP8.29
Rot. Bonds12

About tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)

tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+) (PubChem CID 59137868) has the molecular formula C27H51N6Ti and a molecular weight of 507.61 g/mol. Its IUPAC name is tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+).

Molecular Properties

Compound Nametris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)
PubChem CID59137868
Molecular FormulaC27H51N6Ti
Molecular Weight507.61 g/mol
Exact Mass507.37
IUPAC Nametris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)
SMILESCC/N=C(C)/C=C(/C)[N-]CC.CC/N=C(C)/C=C(/C)[N-]CC.CC/N=C(C)/C=C(/C)[N-]CC.[Ti+3]
InChIInChI=1S/3C9H17N2.Ti/c3*1-5-10-8(3)7-9(4)11-6-2;/h3*7H,5-6H2,1-4H3;/q3*-1;+3/b3*8-7-,11-9+;
InChIKeyFXZFEWQDDVDQHD-PQTNGAKGSA-N
XLogP8.29
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+) with MolForge

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Related Compounds

CID 139102046
CID 139102046
CID 139102048
CID 139102048
CID 139102050
CID 139102050
bis[2-(isopropylamino)-4-(isopropylimino)-pent-2-ene-N,N'] palladium(ii)
CID 139104906
dicopper;[(Z)-4-ethyliminopent-2-en-2-yl]-methylazanide;tris(ethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 139121717
copper bis(methyl-[(Z)-4-(2-methylpropylimino)pent-2-en-2-yl]azanide)
CID 139121718
Bis(4-N-methylimino-2-N-methylamino-2-pentene)bis(dimethylamido) zirconium(IV)
CID 139130801
Bis(4-N-methylimino-2-methylamino-2-pentene)bis(ethylamido) zirconium
CID 139130802
manganese(2+);bis(propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide)
CID 162407548
1,5,7-Tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene
CID 123778578
tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 140545989
(Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 166498031

Frequently Asked Questions

What is the IUPAC name of tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)?
The IUPAC name of tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+) (CID 59137868) is tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+).
What is the SMILES notation for tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)?
The canonical SMILES for tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+) is CC/N=C(C)/C=C(/C)[N-]CC.CC/N=C(C)/C=C(/C)[N-]CC.CC/N=C(C)/C=C(/C)[N-]CC.[Ti+3].
What is the InChIKey of tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)?
The InChIKey is FXZFEWQDDVDQHD-PQTNGAKGSA-N. The full InChI is InChI=1S/3C9H17N2.Ti/c3*1-5-10-8(3)7-9(4)11-6-2;/h3*7H,5-6H2,1-4H3;/q3*-1;+3/b3*8-7-,11-9+;.
What are the key properties of tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)?
tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+) has a molecular weight of 507.61 g/mol, XLogP of 8.29, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+) is sourced from PubChem (CID 59137868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).