carbanide;piperidin-1-ide;titanium(3+)

C7H16NTi — CID 20687678

IUPACcarbanide;piperidin-1-ide;titanium(3+)
SMILESC1CC[N-]CC1.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C5H10N.2CH3.Ti/c1-2-4-6-5-3-1;;;/h1-5H2;2*1H3;/q3*-1;+3
InChIKeyPBDAESKRTDMSBW-UHFFFAOYSA-N
MW162.08 g/mol
LogP2.44
Rot. Bonds

About carbanide;piperidin-1-ide;titanium(3+)

carbanide;piperidin-1-ide;titanium(3+) (PubChem CID 20687678) has the molecular formula C7H16NTi and a molecular weight of 162.08 g/mol. Its IUPAC name is carbanide;piperidin-1-ide;titanium(3+).

Molecular Properties

Compound Namecarbanide;piperidin-1-ide;titanium(3+)
PubChem CID20687678
Molecular FormulaC7H16NTi
Molecular Weight162.08 g/mol
Exact Mass162.08
IUPAC Namecarbanide;piperidin-1-ide;titanium(3+)
SMILESC1CC[N-]CC1.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C5H10N.2CH3.Ti/c1-2-4-6-5-3-1;;;/h1-5H2;2*1H3;/q3*-1;+3
InChIKeyPBDAESKRTDMSBW-UHFFFAOYSA-N
XLogP2.44
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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azanidacycloheptane;tungsten
CID 156681038
bis(piperidin-1-ide);trichlororhodium
CID 54604493
difluorozirconium(2+);bis(piperidin-1-ide)
CID 173243334
nickel(2+);1,4,8,11-tetrazanidacyclopentadecane
CID 50896977
cobalt;bis(piperidin-1-ide);diisothiocyanate
CID 54610742
1-aza-5-azanidacyclooctane;carbanide;titanium(3+);trihydrochloride
CID 173283458
carbon monoxide;chromium(6+);pyrrolidin-1-ide
CID 4210612
zinc;tetrakis(piperidin-1-ide);thiocyanic acid
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Frequently Asked Questions

What is the IUPAC name of carbanide;piperidin-1-ide;titanium(3+)?
The IUPAC name of carbanide;piperidin-1-ide;titanium(3+) (CID 20687678) is carbanide;piperidin-1-ide;titanium(3+).
What is the SMILES notation for carbanide;piperidin-1-ide;titanium(3+)?
The canonical SMILES for carbanide;piperidin-1-ide;titanium(3+) is C1CC[N-]CC1.[CH3-].[CH3-].[Ti+3].
What is the InChIKey of carbanide;piperidin-1-ide;titanium(3+)?
The InChIKey is PBDAESKRTDMSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N.2CH3.Ti/c1-2-4-6-5-3-1;;;/h1-5H2;2*1H3;/q3*-1;+3.
What are the key properties of carbanide;piperidin-1-ide;titanium(3+)?
carbanide;piperidin-1-ide;titanium(3+) has a molecular weight of 162.08 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;piperidin-1-ide;titanium(3+) is sourced from PubChem (CID 20687678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).