3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium

C12H25N2ORe- — CID 155589776

IUPAC3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium
SMILESCC(C)C1CCC[N-]1.CC1COCCN1.[Re]
InChIInChI=1S/C7H14N.C5H11NO.Re/c1-6(2)7-4-3-5-8-7;1-5-4-7-3-2-6-5;/h6-7H,3-5H2,1-2H3;5-6H,2-4H2,1H3;/q-1;;
InChIKeyZQFAMXRKJOWKAK-UHFFFAOYSA-N
MW399.55 g/mol
LogP2.17
Rot. Bonds1

About 3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium

3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium (PubChem CID 155589776) has the molecular formula C12H25N2ORe- and a molecular weight of 399.55 g/mol. Its IUPAC name is 3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium.

Molecular Properties

Compound Name3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium
PubChem CID155589776
Molecular FormulaC12H25N2ORe-
Molecular Weight399.55 g/mol
Exact Mass400.15
IUPAC Name3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium
SMILESCC(C)C1CCC[N-]1.CC1COCCN1.[Re]
InChIInChI=1S/C7H14N.C5H11NO.Re/c1-6(2)7-4-3-5-8-7;1-5-4-7-3-2-6-5;/h6-7H,3-5H2,1-2H3;5-6H,2-4H2,1H3;/q-1;;
InChIKeyZQFAMXRKJOWKAK-UHFFFAOYSA-N
XLogP2.17
TPSA35.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-3-methyl-1,4-oxazepane
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3-propan-2-yl-1,4-oxazepane
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3-(2-methylpropyl)morpholine
CID 20811826
2-methyl-1-morpholin-3-ylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium?
The IUPAC name of 3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium (CID 155589776) is 3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium.
What is the SMILES notation for 3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium?
The canonical SMILES for 3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium is CC(C)C1CCC[N-]1.CC1COCCN1.[Re].
What is the InChIKey of 3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium?
The InChIKey is ZQFAMXRKJOWKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N.C5H11NO.Re/c1-6(2)7-4-3-5-8-7;1-5-4-7-3-2-6-5;/h6-7H,3-5H2,1-2H3;5-6H,2-4H2,1H3;/q-1;;.
What are the key properties of 3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium?
3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium has a molecular weight of 399.55 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium is sourced from PubChem (CID 155589776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).