cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)

C14H23NTi — CID 151758033

IUPACcyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCc1c[c-](C)c(C)c1C.[NH-]C1CCCC1.[Ti+2]
InChIInChI=1S/C9H13.C5H10N.Ti/c1-6-5-7(2)9(4)8(6)3;6-5-3-1-2-4-5;/h5H,1-4H3;5-6H,1-4H2;/q2*-1;+2
InChIKeyRPYMTIKASJNLTD-UHFFFAOYSA-N
MW253.21 g/mol
LogP4.62
Rot. Bonds

About cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)

cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (PubChem CID 151758033) has the molecular formula C14H23NTi and a molecular weight of 253.21 g/mol. Its IUPAC name is cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).

Molecular Properties

Compound Namecyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
PubChem CID151758033
Molecular FormulaC14H23NTi
Molecular Weight253.21 g/mol
Exact Mass253.13
IUPAC Namecyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCc1c[c-](C)c(C)c1C.[NH-]C1CCCC1.[Ti+2]
InChIInChI=1S/C9H13.C5H10N.Ti/c1-6-5-7(2)9(4)8(6)3;6-5-3-1-2-4-5;/h5H,1-4H3;5-6H,1-4H2;/q2*-1;+2
InChIKeyRPYMTIKASJNLTD-UHFFFAOYSA-N
XLogP4.62
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 54.62
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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Frequently Asked Questions

What is the IUPAC name of cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The IUPAC name of cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (CID 151758033) is cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).
What is the SMILES notation for cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The canonical SMILES for cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is Cc1c[c-](C)c(C)c1C.[NH-]C1CCCC1.[Ti+2].
What is the InChIKey of cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The InChIKey is RPYMTIKASJNLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C5H10N.Ti/c1-6-5-7(2)9(4)8(6)3;6-5-3-1-2-4-5;/h5H,1-4H3;5-6H,1-4H2;/q2*-1;+2.
What are the key properties of cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) has a molecular weight of 253.21 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylazanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is sourced from PubChem (CID 151758033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).