2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)

C25H35NV — CID 22980471

IUPAC2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)
SMILESCc1[c-]c(C)c(C)c(C)c1C.[CH2-]N1CCc2c(C)c(C)c(C)c(C)c2C1.[V+2]
InChIInChI=1S/C14H20N.C11H15.V/c1-9-10(2)12(4)14-8-15(5)7-6-13(14)11(9)3;1-7-6-8(2)10(4)11(5)9(7)3;/h5-8H2,1-4H3;1-5H3;/q2*-1;+2
InChIKeyARGVNVNQRZZRNI-UHFFFAOYSA-N
MW400.51 g/mol
LogP6.10
Rot. Bonds

About 2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)

2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+) (PubChem CID 22980471) has the molecular formula C25H35NV and a molecular weight of 400.51 g/mol. Its IUPAC name is 2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+).

Molecular Properties

Compound Name2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)
PubChem CID22980471
Molecular FormulaC25H35NV
Molecular Weight400.51 g/mol
Exact Mass400.22
IUPAC Name2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)
SMILESCc1[c-]c(C)c(C)c(C)c1C.[CH2-]N1CCc2c(C)c(C)c(C)c(C)c2C1.[V+2]
InChIInChI=1S/C14H20N.C11H15.V/c1-9-10(2)12(4)14-8-15(5)7-6-13(14)11(9)3;1-7-6-8(2)10(4)11(5)9(7)3;/h5-8H2,1-4H3;1-5H3;/q2*-1;+2
InChIKeyARGVNVNQRZZRNI-UHFFFAOYSA-N
XLogP6.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 56.10
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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Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)?
The IUPAC name of 2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+) (CID 22980471) is 2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+).
What is the SMILES notation for 2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)?
The canonical SMILES for 2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+) is Cc1[c-]c(C)c(C)c(C)c1C.[CH2-]N1CCc2c(C)c(C)c(C)c(C)c2C1.[V+2].
What is the InChIKey of 2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)?
The InChIKey is ARGVNVNQRZZRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N.C11H15.V/c1-9-10(2)12(4)14-8-15(5)7-6-13(14)11(9)3;1-7-6-8(2)10(4)11(5)9(7)3;/h5-8H2,1-4H3;1-5H3;/q2*-1;+2.
What are the key properties of 2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)?
2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+) has a molecular weight of 400.51 g/mol, XLogP of 6.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+) is sourced from PubChem (CID 22980471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).