bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+)

C22H36N2V — CID 18368706

IUPACbis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+)
SMILESCCN(CC)C(C)C1=[C-]CC=C1.CCN(CC)C(C)C1=[C-]CC=C1.[V+2]
InChIInChI=1S/2C11H18N.V/c2*1-4-12(5-2)10(3)11-8-6-7-9-11;/h2*6,8,10H,4-5,7H2,1-3H3;/q2*-1;+2
InChIKeyCFFLPOCXAJZCDL-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.81
Rot. Bonds8

About bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+)

bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+) (PubChem CID 18368706) has the molecular formula C22H36N2V and a molecular weight of 379.49 g/mol. Its IUPAC name is bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+).

Molecular Properties

Compound Namebis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+)
PubChem CID18368706
Molecular FormulaC22H36N2V
Molecular Weight379.49 g/mol
Exact Mass379.23
IUPAC Namebis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+)
SMILESCCN(CC)C(C)C1=[C-]CC=C1.CCN(CC)C(C)C1=[C-]CC=C1.[V+2]
InChIInChI=1S/2C11H18N.V/c2*1-4-12(5-2)10(3)11-8-6-7-9-11;/h2*6,8,10H,4-5,7H2,1-3H3;/q2*-1;+2
InChIKeyCFFLPOCXAJZCDL-UHFFFAOYSA-N
XLogP4.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.81
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 bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+)?
The IUPAC name of bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+) (CID 18368706) is bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+).
What is the SMILES notation for bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+)?
The canonical SMILES for bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+) is CCN(CC)C(C)C1=[C-]CC=C1.CCN(CC)C(C)C1=[C-]CC=C1.[V+2].
What is the InChIKey of bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+)?
The InChIKey is CFFLPOCXAJZCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H18N.V/c2*1-4-12(5-2)10(3)11-8-6-7-9-11;/h2*6,8,10H,4-5,7H2,1-3H3;/q2*-1;+2.
What are the key properties of bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+)?
bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+) has a molecular weight of 379.49 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-cyclopenta-1,4-dien-1-yl-N,N-diethylethanamine);vanadium(2+) is sourced from PubChem (CID 18368706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).