carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+)

C26H52N2Ti+2 — CID 23376549

IUPACcarbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+)
SMILESC1CCN(CCC2CCCC2)CC1.C1CCN(CCC2CCCC2)CC1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C12H23N.2CH3.Ti/c2*1-4-9-13(10-5-1)11-8-12-6-2-3-7-12;;;/h2*12H,1-11H2;2*1H3;/q;;2*-1;+4
InChIKeyCWRKFAMIKFQAKH-UHFFFAOYSA-N
MW440.58 g/mol
LogP7.00
Rot. Bonds6

About carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+)

carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+) (PubChem CID 23376549) has the molecular formula C26H52N2Ti+2 and a molecular weight of 440.58 g/mol. Its IUPAC name is carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+).

Molecular Properties

Compound Namecarbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+)
PubChem CID23376549
Molecular FormulaC26H52N2Ti+2
Molecular Weight440.58 g/mol
Exact Mass440.36
IUPAC Namecarbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+)
SMILESC1CCN(CCC2CCCC2)CC1.C1CCN(CCC2CCCC2)CC1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C12H23N.2CH3.Ti/c2*1-4-9-13(10-5-1)11-8-12-6-2-3-7-12;;;/h2*12H,1-11H2;2*1H3;/q;;2*-1;+4
InChIKeyCWRKFAMIKFQAKH-UHFFFAOYSA-N
XLogP7.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+)?
The IUPAC name of carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+) (CID 23376549) is carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+).
What is the SMILES notation for carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+)?
The canonical SMILES for carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+) is C1CCN(CCC2CCCC2)CC1.C1CCN(CCC2CCCC2)CC1.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+)?
The InChIKey is CWRKFAMIKFQAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H23N.2CH3.Ti/c2*1-4-9-13(10-5-1)11-8-12-6-2-3-7-12;;;/h2*12H,1-11H2;2*1H3;/q;;2*-1;+4.
What are the key properties of carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+)?
carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+) has a molecular weight of 440.58 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+) is sourced from PubChem (CID 23376549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).