ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium

C18H27N2Re- — CID 164573338

IUPACethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium
SMILESCC.CC(C)c1cc[c-]cn1.CC(C)c1ccccn1.[Re]
InChIInChI=1S/C8H11N.C8H10N.C2H6.Re/c2*1-7(2)8-5-3-4-6-9-8;1-2;/h3-7H,1-2H3;3,5-7H,1-2H3;1-2H3;/q;-1;;
InChIKeyGXRYXFOOTFMEKA-UHFFFAOYSA-N
MW457.64 g/mol
LogP5.23
Rot. Bonds2

About ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium

ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium (PubChem CID 164573338) has the molecular formula C18H27N2Re- and a molecular weight of 457.64 g/mol. Its IUPAC name is ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium.

Molecular Properties

Compound Nameethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium
PubChem CID164573338
Molecular FormulaC18H27N2Re-
Molecular Weight457.64 g/mol
Exact Mass458.17
IUPAC Nameethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium
SMILESCC.CC(C)c1cc[c-]cn1.CC(C)c1ccccn1.[Re]
InChIInChI=1S/C8H11N.C8H10N.C2H6.Re/c2*1-7(2)8-5-3-4-6-9-8;1-2;/h3-7H,1-2H3;3,5-7H,1-2H3;1-2H3;/q;-1;;
InChIKeyGXRYXFOOTFMEKA-UHFFFAOYSA-N
XLogP5.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.64
LogP ≤ 55.23
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium?
The IUPAC name of ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium (CID 164573338) is ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium.
What is the SMILES notation for ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium?
The canonical SMILES for ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium is CC.CC(C)c1cc[c-]cn1.CC(C)c1ccccn1.[Re].
What is the InChIKey of ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium?
The InChIKey is GXRYXFOOTFMEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C8H10N.C2H6.Re/c2*1-7(2)8-5-3-4-6-9-8;1-2;/h3-7H,1-2H3;3,5-7H,1-2H3;1-2H3;/q;-1;;.
What are the key properties of ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium?
ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium has a molecular weight of 457.64 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-ylpyridine;6-propan-2-yl-3H-pyridin-3-ide;rhenium is sourced from PubChem (CID 164573338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).