CID 163457869

C8H17N2Re2- — CID 163457869

IUPAC—
SMILESCC(C)N1C[CH-]CNCC1.[Re].[Re]
InChIInChI=1S/C8H17N2.2Re/c1-8(2)10-6-3-4-9-5-7-10;;/h3,8-9H,4-7H2,1-2H3;;/q-1;;
InChIKeyIZRJAKNQPKAYMB-UHFFFAOYSA-N
MW513.65 g/mol
LogP0.50
Rot. Bonds1

About CID 163457869

CID 163457869 (PubChem CID 163457869) has the molecular formula C8H17N2Re2- and a molecular weight of 513.65 g/mol.

Molecular Properties

Compound NameCID 163457869
PubChem CID163457869
Molecular FormulaC8H17N2Re2-
Molecular Weight513.65 g/mol
Exact Mass515.05
IUPAC Name—
SMILESCC(C)N1C[CH-]CNCC1.[Re].[Re]
InChIInChI=1S/C8H17N2.2Re/c1-8(2)10-6-3-4-9-5-7-10;;/h3,8-9H,4-7H2,1-2H3;;/q-1;;
InChIKeyIZRJAKNQPKAYMB-UHFFFAOYSA-N
XLogP0.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.65
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium
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1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
1-propan-2-ylpiperidin-5-ide;vanadium
CID 166117378
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856
2-methylpropane;pyrrolidin-4-ide;rhenium
CID 169144659
ethane;1-propan-2-ylpiperidin-5-ide;rubidium(1+)
CID 169182346
methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157479144
N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152
1-[(Z)-pent-3-en-2-yl]piperazine
CID 70169405
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
1-ethylpiperazine;1-propan-2-ylpiperazine
CID 70370755

Frequently Asked Questions

What is the IUPAC name of CID 163457869?
The IUPAC name of CID 163457869 (CID 163457869) is not available.
What is the SMILES notation for CID 163457869?
The canonical SMILES for CID 163457869 is CC(C)N1C[CH-]CNCC1.[Re].[Re].
What is the InChIKey of CID 163457869?
The InChIKey is IZRJAKNQPKAYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2.2Re/c1-8(2)10-6-3-4-9-5-7-10;;/h3,8-9H,4-7H2,1-2H3;;/q-1;;.
What are the key properties of CID 163457869?
CID 163457869 has a molecular weight of 513.65 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163457869 is sourced from PubChem (CID 163457869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).