carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride

C19H39Cl3NTi-3 — CID 162302406

IUPACcarbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride
SMILESC1CCCC1.C1CCN(CCC2CCCC2)CC1.Cl[Ti]Cl.[CH3-].[CH3-].[Cl-]
InChIInChI=1S/C12H23N.C5H10.2CH3.3ClH.Ti/c1-4-9-13(10-5-1)11-8-12-6-2-3-7-12;1-2-4-5-3-1;;;;;;/h12H,1-11H2;1-5H2;2*1H3;3*1H;/q;;2*-1;;;;+2/p-3
InChIKeyIAHHMFGPHRIAFI-UHFFFAOYSA-K
MW435.75 g/mol
LogP4.28
Rot. Bonds3

About carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride

carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride (PubChem CID 162302406) has the molecular formula C19H39Cl3NTi-3 and a molecular weight of 435.75 g/mol. Its IUPAC name is carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride.

Molecular Properties

Compound Namecarbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride
PubChem CID162302406
Molecular FormulaC19H39Cl3NTi-3
Molecular Weight435.75 g/mol
Exact Mass434.16
IUPAC Namecarbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride
SMILESC1CCCC1.C1CCN(CCC2CCCC2)CC1.Cl[Ti]Cl.[CH3-].[CH3-].[Cl-]
InChIInChI=1S/C12H23N.C5H10.2CH3.3ClH.Ti/c1-4-9-13(10-5-1)11-8-12-6-2-3-7-12;1-2-4-5-3-1;;;;;;/h12H,1-11H2;1-5H2;2*1H3;3*1H;/q;;2*-1;;;;+2/p-3
InChIKeyIAHHMFGPHRIAFI-UHFFFAOYSA-K
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.75
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbanide;bis(1-(2-cyclopentylethyl)-1-methylpiperidin-1-ium);dichlorotitanium;diiodide
CID 162293331
Carbanide;cyclopentane;4-cyclopentyl-1-methylpiperidine;dichlorotitanium;chloride
CID 162293489
Carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide
CID 162293494
CID 9803501
CID 9803501
CID 9845860
CID 9845860
CID 9847350
CID 9847350
CID 9910553
CID 9910553
CID 9956444
CID 9956444
CID 10054186
CID 10054186
CID 10089957
CID 10089957
CID 10362089
CID 10362089
CID 10389280
CID 10389280

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride?
The IUPAC name of carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride (CID 162302406) is carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride.
What is the SMILES notation for carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride?
The canonical SMILES for carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride is C1CCCC1.C1CCN(CCC2CCCC2)CC1.Cl[Ti]Cl.[CH3-].[CH3-].[Cl-].
What is the InChIKey of carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride?
The InChIKey is IAHHMFGPHRIAFI-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H23N.C5H10.2CH3.3ClH.Ti/c1-4-9-13(10-5-1)11-8-12-6-2-3-7-12;1-2-4-5-3-1;;;;;;/h12H,1-11H2;1-5H2;2*1H3;3*1H;/q;;2*-1;;;;+2/p-3.
What are the key properties of carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride?
carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride has a molecular weight of 435.75 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride is sourced from PubChem (CID 162302406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).