bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)

C15H25N5Ti — CID 11232528

IUPACbis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)
SMILESCN(Cc1ccc[n-]1)Cc1ccc[n-]1.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/C11H13N3.2C2H6N.Ti/c1-14(8-10-4-2-6-12-10)9-11-5-3-7-13-11;2*1-3-2;/h2-7H,8-9H2,1H3;2*1-2H3;/q-2;2*-1;+4
InChIKeyAATNKDVSDDFSSJ-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.47
Rot. Bonds4

About bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)

bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+) (PubChem CID 11232528) has the molecular formula C15H25N5Ti and a molecular weight of 323.27 g/mol. Its IUPAC name is bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+).

Molecular Properties

Compound Namebis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)
PubChem CID11232528
Molecular FormulaC15H25N5Ti
Molecular Weight323.27 g/mol
Exact Mass323.16
IUPAC Namebis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)
SMILESCN(Cc1ccc[n-]1)Cc1ccc[n-]1.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/C11H13N3.2C2H6N.Ti/c1-14(8-10-4-2-6-12-10)9-11-5-3-7-13-11;2*1-3-2;/h2-7H,8-9H2,1H3;2*1-2H3;/q-2;2*-1;+4
InChIKeyAATNKDVSDDFSSJ-UHFFFAOYSA-N
XLogP2.47
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)?
The IUPAC name of bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+) (CID 11232528) is bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+).
What is the SMILES notation for bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)?
The canonical SMILES for bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+) is CN(Cc1ccc[n-]1)Cc1ccc[n-]1.C[N-]C.C[N-]C.[Ti+4].
What is the InChIKey of bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)?
The InChIKey is AATNKDVSDDFSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.2C2H6N.Ti/c1-14(8-10-4-2-6-12-10)9-11-5-3-7-13-11;2*1-3-2;/h2-7H,8-9H2,1H3;2*1-2H3;/q-2;2*-1;+4.
What are the key properties of bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)?
bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+) has a molecular weight of 323.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylazanide);N-methyl-1-pyrrol-1-id-2-yl-N-(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+) is sourced from PubChem (CID 11232528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).