bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+)

C18H34N6Ti — CID 11349560

IUPACbis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+)
SMILESCN(C)Cc1ccc[n-]1.CN(C)Cc1ccc[n-]1.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/2C7H11N2.2C2H6N.Ti/c2*1-9(2)6-7-4-3-5-8-7;2*1-3-2;/h2*3-5H,6H2,1-2H3;2*1-2H3;/q4*-1;+4
InChIKeyKVTVRPBCTPGPTA-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.65
Rot. Bonds4

About bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+)

bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+) (PubChem CID 11349560) has the molecular formula C18H34N6Ti and a molecular weight of 382.38 g/mol. Its IUPAC name is bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+).

Molecular Properties

Compound Namebis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+)
PubChem CID11349560
Molecular FormulaC18H34N6Ti
Molecular Weight382.38 g/mol
Exact Mass382.23
IUPAC Namebis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+)
SMILESCN(C)Cc1ccc[n-]1.CN(C)Cc1ccc[n-]1.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/2C7H11N2.2C2H6N.Ti/c2*1-9(2)6-7-4-3-5-8-7;2*1-3-2;/h2*3-5H,6H2,1-2H3;2*1-2H3;/q4*-1;+4
InChIKeyKVTVRPBCTPGPTA-UHFFFAOYSA-N
XLogP2.65
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+)?
The IUPAC name of bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+) (CID 11349560) is bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+).
What is the SMILES notation for bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+)?
The canonical SMILES for bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+) is CN(C)Cc1ccc[n-]1.CN(C)Cc1ccc[n-]1.C[N-]C.C[N-]C.[Ti+4].
What is the InChIKey of bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+)?
The InChIKey is KVTVRPBCTPGPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11N2.2C2H6N.Ti/c2*1-9(2)6-7-4-3-5-8-7;2*1-3-2;/h2*3-5H,6H2,1-2H3;2*1-2H3;/q4*-1;+4.
What are the key properties of bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+)?
bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+) has a molecular weight of 382.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylazanide);bis(N,N-dimethyl-1-pyrrol-1-id-2-ylmethanamine);titanium(4+) is sourced from PubChem (CID 11349560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).