cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium

C17H29Cl2N2Ti- — CID 23578228

IUPACcyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium
SMILESC/C(=C/C(C)=N/C1CCCCC1)[N-]C1CCCCC1.Cl[Ti]Cl
InChIInChI=1S/C17H29N2.2ClH.Ti/c1-14(18-16-9-5-3-6-10-16)13-15(2)19-17-11-7-4-8-12-17;;;/h13,16-17H,3-12H2,1-2H3;2*1H;/q-1;;;+2/p-2/b14-13-,19-15+;;;
InChIKeyZBNGCANIQPEPRN-CKYCSHMFSA-L
MW380.21 g/mol
LogP6.77
Rot. Bonds4

About cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium

cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium (PubChem CID 23578228) has the molecular formula C17H29Cl2N2Ti- and a molecular weight of 380.21 g/mol. Its IUPAC name is cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium.

Molecular Properties

Compound Namecyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium
PubChem CID23578228
Molecular FormulaC17H29Cl2N2Ti-
Molecular Weight380.21 g/mol
Exact Mass379.12
IUPAC Namecyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium
SMILESC/C(=C/C(C)=N/C1CCCCC1)[N-]C1CCCCC1.Cl[Ti]Cl
InChIInChI=1S/C17H29N2.2ClH.Ti/c1-14(18-16-9-5-3-6-10-16)13-15(2)19-17-11-7-4-8-12-17;;;/h13,16-17H,3-12H2,1-2H3;2*1H;/q-1;;;+2/p-2/b14-13-,19-15+;;;
InChIKeyZBNGCANIQPEPRN-CKYCSHMFSA-L
XLogP6.77
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.21
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-4-cyclohexyliminopent-2-en-2-yl]cyclohexanamine
CID 23578229
1,3-dicyclohexyl-4,6-dimethyl-2H-pyrimidin-3-ium
CID 21342162
Cyclohexyl-[4-[cyclohexyl(propan-2-yl)amino]pent-3-en-2-ylidene]-methylazanium
CID 174071485
N-[(E)-4-cyclohexyliminopent-2-en-2-yl]cyclohexanamine
CID 15055248
ZINC;carbanide;cyclohexyl-(7-cyclohexyliminocyclohepta-1,3,5-trien-1-yl)azanide
CID 16079129
ZINC;carbanide;cyclohexyl-(7-cyclohexyliminocyclohepta-1,3,5-trien-1-yl)azanide
CID 17748583
N-(4-cyclohexyliminopent-2-en-2-yl)cyclohexanamine
CID 72744022

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium?
The IUPAC name of cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium (CID 23578228) is cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium.
What is the SMILES notation for cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium?
The canonical SMILES for cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium is C/C(=C/C(C)=N/C1CCCCC1)[N-]C1CCCCC1.Cl[Ti]Cl.
What is the InChIKey of cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium?
The InChIKey is ZBNGCANIQPEPRN-CKYCSHMFSA-L. The full InChI is InChI=1S/C17H29N2.2ClH.Ti/c1-14(18-16-9-5-3-6-10-16)13-15(2)19-17-11-7-4-8-12-17;;;/h13,16-17H,3-12H2,1-2H3;2*1H;/q-1;;;+2/p-2/b14-13-,19-15+;;;.
What are the key properties of cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium?
cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium has a molecular weight of 380.21 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(Z)-4-cyclohexyliminopent-2-en-2-yl]azanide;dichlorotitanium is sourced from PubChem (CID 23578228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).