(1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)

C20H25N7Ti — CID 139130009

About (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)

(1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+) (PubChem CID 139130009) has the molecular formula C20H25N7Ti and a molecular weight of 411.34 g/mol. Its IUPAC name is (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+).

Molecular Properties

• Compound Name: (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)
• PubChem CID: 139130009
• Molecular Formula: C20H25N7Ti
• Molecular Weight: 411.34 g/mol
• Exact Mass: 411.17
• IUPAC Name: (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)
• SMILES: CN1CCN(C)C1=[N-].[Ti+4].c1c[n-]c(CN(Cc2ccc[n-]2)Cc2ccc[n-]2)c1
• InChI: InChI=1S/C15H15N4.C5H10N3.Ti/c1-4-13(16-7-1)10-19(11-14-5-2-8-17-14)12-15-6-3-9-18-15;1-7-3-4-8(2)5(7)6;/h1-9H,10-12H2;3-4H2,1-2H3;/q-3;-1;+4
• InChIKey: AOMINJQOVMIBHK-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 74.32 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.34
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)?

The IUPAC name of (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+) (CID 139130009) is (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+).

What is the SMILES notation for (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)?

The canonical SMILES for (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+) is CN1CCN(C)C1=[N-].[Ti+4].c1c[n-]c(CN(Cc2ccc[n-]2)Cc2ccc[n-]2)c1.

What is the InChIKey of (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)?

The InChIKey is AOMINJQOVMIBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N4.C5H10N3.Ti/c1-4-13(16-7-1)10-19(11-14-5-2-8-17-14)12-15-6-3-9-18-15;1-7-3-4-8(2)5(7)6;/h1-9H,10-12H2;3-4H2,1-2H3;/q-3;-1;+4.

What are the key properties of (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+)?

(1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+) has a molecular weight of 411.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1,3-dimethylimidazolidin-2-ylidene)azanide;1-pyrrol-1-id-2-yl-N,N-bis(pyrrol-1-id-2-ylmethyl)methanamine;titanium(4+) is sourced from PubChem (CID 139130009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).