N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium

C12H15N2V- — CID 59117737

IUPACN-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium
SMILESC=C(NC)c1c[c-]cc(C(=C)NC)c1.[V]
InChIInChI=1S/C12H15N2.V/c1-9(13-3)11-6-5-7-12(8-11)10(2)14-4;/h6-8,13-14H,1-2H2,3-4H3;/q-1;
InChIKeyARGMUKYTUCLAIT-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.86
Rot. Bonds4

About N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium

N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium (PubChem CID 59117737) has the molecular formula C12H15N2V- and a molecular weight of 238.21 g/mol. Its IUPAC name is N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium.

Molecular Properties

Compound NameN-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium
PubChem CID59117737
Molecular FormulaC12H15N2V-
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC NameN-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium
SMILESC=C(NC)c1c[c-]cc(C(=C)NC)c1.[V]
InChIInChI=1S/C12H15N2.V/c1-9(13-3)11-6-5-7-12(8-11)10(2)14-4;/h6-8,13-14H,1-2H2,3-4H3;/q-1;
InChIKeyARGMUKYTUCLAIT-UHFFFAOYSA-N
XLogP1.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
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 N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium?
The IUPAC name of N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium (CID 59117737) is N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium.
What is the SMILES notation for N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium?
The canonical SMILES for N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium is C=C(NC)c1c[c-]cc(C(=C)NC)c1.[V].
What is the InChIKey of N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium?
The InChIKey is ARGMUKYTUCLAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2.V/c1-9(13-3)11-6-5-7-12(8-11)10(2)14-4;/h6-8,13-14H,1-2H2,3-4H3;/q-1;.
What are the key properties of N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium?
N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium has a molecular weight of 238.21 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[1-(methylamino)ethenyl]benzene-5-id-1-yl]ethenamine;vanadium is sourced from PubChem (CID 59117737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).