carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide

C19H41Br3NTi-3 — CID 162293494

IUPACcarbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide
SMILESBr[Ti]Br.C1CCCC1.CC1CCCC1.CN1CCCCC1.[Br-].[CH3-].[CH3-]
InChIInChI=1S/C6H13N.C6H12.C5H10.2CH3.3BrH.Ti/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-2-4-5-3-1;;;;;;/h2-6H2,1H3;6H,2-5H2,1H3;1-5H2;2*1H3;3*1H;/q;;;2*-1;;;;+2/p-3
InChIKeyBYEYZABTBPFCCS-UHFFFAOYSA-K
MW571.12 g/mol
LogP4.84
Rot. Bonds

About carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide

carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide (PubChem CID 162293494) has the molecular formula C19H41Br3NTi-3 and a molecular weight of 571.12 g/mol. Its IUPAC name is carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide.

Molecular Properties

Compound Namecarbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide
PubChem CID162293494
Molecular FormulaC19H41Br3NTi-3
Molecular Weight571.12 g/mol
Exact Mass568.03
IUPAC Namecarbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide
SMILESBr[Ti]Br.C1CCCC1.CC1CCCC1.CN1CCCCC1.[Br-].[CH3-].[CH3-]
InChIInChI=1S/C6H13N.C6H12.C5H10.2CH3.3BrH.Ti/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-2-4-5-3-1;;;;;;/h2-6H2,1H3;6H,2-5H2,1H3;1-5H2;2*1H3;3*1H;/q;;;2*-1;;;;+2/p-3
InChIKeyBYEYZABTBPFCCS-UHFFFAOYSA-K
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.12
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Carbanide;cyclopentane;1-(2-cyclopentylethyl)piperidine;dichlorotitanium;chloride
CID 162302406
CID 10389280
CID 10389280
Carbanide;bis(1-(2-cyclopentylethyl)piperidine);titanium(4+)
CID 23376549
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 112840886
Bis(cyclopentylmethyl)-diethylazanium
CID 137946225

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide?
The IUPAC name of carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide (CID 162293494) is carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide.
What is the SMILES notation for carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide?
The canonical SMILES for carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide is Br[Ti]Br.C1CCCC1.CC1CCCC1.CN1CCCCC1.[Br-].[CH3-].[CH3-].
What is the InChIKey of carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide?
The InChIKey is BYEYZABTBPFCCS-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H13N.C6H12.C5H10.2CH3.3BrH.Ti/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-2-4-5-3-1;;;;;;/h2-6H2,1H3;6H,2-5H2,1H3;1-5H2;2*1H3;3*1H;/q;;;2*-1;;;;+2/p-3.
What are the key properties of carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide?
carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide has a molecular weight of 571.12 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;dibromotitanium;methylcyclopentane;1-methylpiperidine;bromide is sourced from PubChem (CID 162293494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).