dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane

C18H37Cl2MnN5 — CID 59891311

IUPACdichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane
SMILESC1CC[C@@H]2C[C@@H]3NCCNCCNCCNCCN[C@H]3C[C@H]2C1.Cl[Mn]Cl
InChIInChI=1S/C18H37N5.2ClH.Mn/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18;;;/h15-23H,1-14H2;2*1H;/q;;;+2/p-2/t15-,16-,17+,18+;;;/m1.../s1
InChIKeyZLSYVVQHOHLKSE-NMLMUQDFSA-L
MW449.37 g/mol
LogP1.66
Rot. Bonds

About dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane

dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane (PubChem CID 59891311) has the molecular formula C18H37Cl2MnN5 and a molecular weight of 449.37 g/mol. Its IUPAC name is dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane.

Molecular Properties

Compound Namedichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane
PubChem CID59891311
Molecular FormulaC18H37Cl2MnN5
Molecular Weight449.37 g/mol
Exact Mass448.18
IUPAC Namedichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane
SMILESC1CC[C@@H]2C[C@@H]3NCCNCCNCCNCCN[C@H]3C[C@H]2C1.Cl[Mn]Cl
InChIInChI=1S/C18H37N5.2ClH.Mn/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18;;;/h15-23H,1-14H2;2*1H;/q;;;+2/p-2/t15-,16-,17+,18+;;;/m1.../s1
InChIKeyZLSYVVQHOHLKSE-NMLMUQDFSA-L
XLogP1.66
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 51.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane?
The IUPAC name of dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane (CID 59891311) is dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane.
What is the SMILES notation for dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane?
The canonical SMILES for dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane is C1CC[C@@H]2C[C@@H]3NCCNCCNCCNCCN[C@H]3C[C@H]2C1.Cl[Mn]Cl.
What is the InChIKey of dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane?
The InChIKey is ZLSYVVQHOHLKSE-NMLMUQDFSA-L. The full InChI is InChI=1S/C18H37N5.2ClH.Mn/c1-2-4-16-14-18-17(13-15(16)3-1)22-11-9-20-7-5-19-6-8-21-10-12-23-18;;;/h15-23H,1-14H2;2*1H;/q;;;+2/p-2/t15-,16-,17+,18+;;;/m1.../s1.
What are the key properties of dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane?
dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane has a molecular weight of 449.37 g/mol, XLogP of 1.66, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromanganese;(1S,15S,17R,22R)-2,5,8,11,14-pentazatricyclo[13.8.0.017,22]tricosane is sourced from PubChem (CID 59891311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).