carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium

C16H39N3Re2-2 — CID 159100546

IUPACcarbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium
SMILESCC.CC.CN1CCCCC1.CN1CC[N-]CC1.[CH3-].[Re].[Re]
InChIInChI=1S/C6H13N.C5H11N2.2C2H6.CH3.2Re/c1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;2*1-2;;;/h2-6H2,1H3;2-5H2,1H3;2*1-2H3;1H3;;/q;-1;;;-1;;
InChIKeyVUMWTBILEGLWTC-UHFFFAOYSA-N
MW645.92 g/mol
LogP3.91
Rot. Bonds

About carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium

carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium (PubChem CID 159100546) has the molecular formula C16H39N3Re2-2 and a molecular weight of 645.92 g/mol. Its IUPAC name is carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium.

Molecular Properties

Compound Namecarbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium
PubChem CID159100546
Molecular FormulaC16H39N3Re2-2
Molecular Weight645.92 g/mol
Exact Mass647.23
IUPAC Namecarbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium
SMILESCC.CC.CN1CCCCC1.CN1CC[N-]CC1.[CH3-].[Re].[Re]
InChIInChI=1S/C6H13N.C5H11N2.2C2H6.CH3.2Re/c1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;2*1-2;;;/h2-6H2,1H3;2-5H2,1H3;2*1-2H3;1H3;;/q;-1;;;-1;;
InChIKeyVUMWTBILEGLWTC-UHFFFAOYSA-N
XLogP3.91
TPSA20.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.92
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium?
The IUPAC name of carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium (CID 159100546) is carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium.
What is the SMILES notation for carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium?
The canonical SMILES for carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium is CC.CC.CN1CCCCC1.CN1CC[N-]CC1.[CH3-].[Re].[Re].
What is the InChIKey of carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium?
The InChIKey is VUMWTBILEGLWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11N2.2C2H6.CH3.2Re/c1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;2*1-2;;;/h2-6H2,1H3;2-5H2,1H3;2*1-2H3;1H3;;/q;-1;;;-1;;.
What are the key properties of carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium?
carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium has a molecular weight of 645.92 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;1-methylpiperazin-4-ide;1-methylpiperidine;rhenium is sourced from PubChem (CID 159100546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).