azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))

C48H102N12Ru2 — CID 140515712

IUPACazanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))
SMILESCCCCCCCCC1CC(C2CCC(C3CCCC[N-]3)[N-]C2)CCC1C1CCC(C2CCC(C3CCCC[N-]3)[N-]C2)CC1CCCCCCCC.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ru+6].[Ru+6]
InChIInChI=1S/C48H86N4.8H2N.2Ru/c1-3-5-7-9-11-13-19-39-33-37(41-25-29-47(51-35-41)45-21-15-17-31-49-45)23-27-43(39)44-28-24-38(34-40(44)20-14-12-10-8-6-4-2)42-26-30-48(52-36-42)46-22-16-18-32-50-46;;;;;;;;;;/h37-48H,3-36H2,1-2H3;8*1H2;;/q-4;8*-1;2*+6
InChIKeyIGNGWWYYRSTTHC-UHFFFAOYSA-N
MW1049.57 g/mol
LogP20.44
Rot. Bonds19

About azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))

azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) (PubChem CID 140515712) has the molecular formula C48H102N12Ru2 and a molecular weight of 1049.57 g/mol. Its IUPAC name is azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)).

Molecular Properties

Compound Nameazanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))
PubChem CID140515712
Molecular FormulaC48H102N12Ru2
Molecular Weight1049.57 g/mol
Exact Mass1050.64
IUPAC Nameazanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))
SMILESCCCCCCCCC1CC(C2CCC(C3CCCC[N-]3)[N-]C2)CCC1C1CCC(C2CCC(C3CCCC[N-]3)[N-]C2)CC1CCCCCCCC.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ru+6].[Ru+6]
InChIInChI=1S/C48H86N4.8H2N.2Ru/c1-3-5-7-9-11-13-19-39-33-37(41-25-29-47(51-35-41)45-21-15-17-31-49-45)23-27-43(39)44-28-24-38(34-40(44)20-14-12-10-8-6-4-2)42-26-30-48(52-36-42)46-22-16-18-32-50-46;;;;;;;;;;/h37-48H,3-36H2,1-2H3;8*1H2;;/q-4;8*-1;2*+6
InChIKeyIGNGWWYYRSTTHC-UHFFFAOYSA-N
XLogP20.44
TPSA324.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.57
LogP ≤ 520.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) with MolForge

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

Launch Full Analysis

Related Compounds

Carbanide;bis(4-methyl-2-(4-methylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)
CID 59582768
Azanide;5-[9,9-dioctyl-7-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))
CID 140515719

Frequently Asked Questions

What is the IUPAC name of azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))?
The IUPAC name of azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) (CID 140515712) is azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)).
What is the SMILES notation for azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))?
The canonical SMILES for azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) is CCCCCCCCC1CC(C2CCC(C3CCCC[N-]3)[N-]C2)CCC1C1CCC(C2CCC(C3CCCC[N-]3)[N-]C2)CC1CCCCCCCC.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ru+6].[Ru+6].
What is the InChIKey of azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))?
The InChIKey is IGNGWWYYRSTTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H86N4.8H2N.2Ru/c1-3-5-7-9-11-13-19-39-33-37(41-25-29-47(51-35-41)45-21-15-17-31-49-45)23-27-43(39)44-28-24-38(34-40(44)20-14-12-10-8-6-4-2)42-26-30-48(52-36-42)46-22-16-18-32-50-46;;;;;;;;;;/h37-48H,3-36H2,1-2H3;8*1H2;;/q-4;8*-1;2*+6.
What are the key properties of azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+))?
azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) has a molecular weight of 1049.57 g/mol, XLogP of 20.44, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;5-[3-octyl-4-[2-octyl-4-(6-piperidin-1-id-2-ylpiperidin-1-id-3-yl)cyclohexyl]cyclohexyl]-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(ruthenium(6+)) is sourced from PubChem (CID 140515712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).