1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride

C15H21Cl3NV- — CID 173325436

IUPAC1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride
SMILESCN(C)C(C)(C1=[C-]CC=C1)c1ccccc1.Cl.Cl.Cl.[V]
InChIInChI=1S/C15H18N.3ClH.V/c1-15(16(2)3,14-11-7-8-12-14)13-9-5-4-6-10-13;;;;/h4-7,9-11H,8H2,1-3H3;3*1H;/q-1;;;;
InChIKeyLAPHWFWTAUFEDH-UHFFFAOYSA-N
MW372.64 g/mol
LogP4.42
Rot. Bonds3

About 1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride

1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride (PubChem CID 173325436) has the molecular formula C15H21Cl3NV- and a molecular weight of 372.64 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride
PubChem CID173325436
Molecular FormulaC15H21Cl3NV-
Molecular Weight372.64 g/mol
Exact Mass371.02
IUPAC Name1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride
SMILESCN(C)C(C)(C1=[C-]CC=C1)c1ccccc1.Cl.Cl.Cl.[V]
InChIInChI=1S/C15H18N.3ClH.V/c1-15(16(2)3,14-11-7-8-12-14)13-9-5-4-6-10-13;;;;/h4-7,9-11H,8H2,1-3H3;3*1H;/q-1;;;;
InChIKeyLAPHWFWTAUFEDH-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.42
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

1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;titanium;trihydrochloride
CID 173325378
2-cyclopenta-1,4-dien-1-ylpropan-2-ylbenzene;vanadium;trihydrochloride
CID 173225803
(1-cyclopenta-1,4-dien-1-yl-1-phenylbutyl)benzene;zirconium(3+);dichloride
CID 175553841
2-tert-butylcyclopenta-1,3-diene;zirconium;hydrochloride
CID 175020191
bis(2-tert-butylcyclopenta-1,3-diene);diphenylsilylidenezirconium(2+);dichloride
CID 88592670
bis(2-(2,2,3-trimethylpentan-3-yl)cyclopenta-1,3-diene);zirconium(2+);dihydrochloride
CID 174241252
bis(2-tert-butylcyclopenta-1,3-diene);hafnium;hydride
CID 173149571
bis(2-tert-butylcyclopenta-1,3-diene);bis(zirconium(2+));dichloride
CID 23212513
benzene;2-tert-butylcyclopenta-1,3-diene;3-tert-butylphenol;carbanide;titanium(3+);dihydrochloride
CID 174408670
bis(2-tert-butylcyclopenta-1,3-diene);bis(2-fluorophenol);zirconium(2+)
CID 22676064
bis(cyclopenta-1,4-dien-1-yl(trimethyl)silane);phenylmethylbenzene;zirconium(3+)
CID 174985853
benzhydrylidenetitanium(1+);2-tert-butylcyclopenta-1,3-diene;3,5-dimethylphenol;dihydrochloride
CID 87146046

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride (CID 173325436) is 1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride is CN(C)C(C)(C1=[C-]CC=C1)c1ccccc1.Cl.Cl.Cl.[V].
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride?
The InChIKey is LAPHWFWTAUFEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N.3ClH.V/c1-15(16(2)3,14-11-7-8-12-14)13-9-5-4-6-10-13;;;;/h4-7,9-11H,8H2,1-3H3;3*1H;/q-1;;;;.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride?
1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride has a molecular weight of 372.64 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-N,N-dimethyl-1-phenylethanamine;vanadium;trihydrochloride is sourced from PubChem (CID 173325436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).