carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)

C20H28N4Ti — CID 11143219

IUPACcarbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)
SMILESC/N=c1\cccccc1[N-]C.C/N=c1\cccccc1[N-]C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C9H11N2.2CH3.Ti/c2*1-10-8-6-4-3-5-7-9(8)11-2;;;/h2*3-7H,1-2H3;2*1H3;/q4*-1;+4
InChIKeyKVBGJLPUGHLOCJ-UHFFFAOYSA-N
MW372.34 g/mol
LogP4.60
Rot. Bonds2

About carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)

carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+) (PubChem CID 11143219) has the molecular formula C20H28N4Ti and a molecular weight of 372.34 g/mol. Its IUPAC name is carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+).

Molecular Properties

Compound Namecarbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)
PubChem CID11143219
Molecular FormulaC20H28N4Ti
Molecular Weight372.34 g/mol
Exact Mass372.18
IUPAC Namecarbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)
SMILESC/N=c1\cccccc1[N-]C.C/N=c1\cccccc1[N-]C.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/2C9H11N2.2CH3.Ti/c2*1-10-8-6-4-3-5-7-9(8)11-2;;;/h2*3-7H,1-2H3;2*1H3;/q4*-1;+4
InChIKeyKVBGJLPUGHLOCJ-UHFFFAOYSA-N
XLogP4.60
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.60
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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Related Compounds

7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine
CID 163684541
Benzene;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)
CID 10939987
Dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide)
CID 10994984
Benzene;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)
CID 15971497
Carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)
CID 15973624
(7-Propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide
CID 101025444
Propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
CID 101031528
Propyl-(7-propyliminocyclohepta-1,3,5-trien-1-yl)azanide
CID 101073410
2,8-Diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene
CID 101383277
Methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide
CID 101999856
2,15-Diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene
CID 122228468
2,6-Diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene
CID 122228469

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)?
The IUPAC name of carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+) (CID 11143219) is carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+).
What is the SMILES notation for carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)?
The canonical SMILES for carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+) is C/N=c1\cccccc1[N-]C.C/N=c1\cccccc1[N-]C.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)?
The InChIKey is KVBGJLPUGHLOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N2.2CH3.Ti/c2*1-10-8-6-4-3-5-7-9(8)11-2;;;/h2*3-7H,1-2H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)?
carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+) has a molecular weight of 372.34 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+) is sourced from PubChem (CID 11143219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).