2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)

C16H22NORu — CID 168924316

IUPAC2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)
SMILESCCCC(C)([CH-]NCC)c1ccc2occc2c1.[Ru+]
InChIInChI=1S/C16H22NO.Ru/c1-4-9-16(3,12-17-5-2)14-6-7-15-13(11-14)8-10-18-15;/h6-8,10-12,17H,4-5,9H2,1-3H3;/q-1;+1
InChIKeySPDMPCPVZVKMBQ-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.26
Rot. Bonds6

About 2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)

2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+) (PubChem CID 168924316) has the molecular formula C16H22NORu and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+).

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)
PubChem CID168924316
Molecular FormulaC16H22NORu
Molecular Weight345.43 g/mol
Exact Mass346.07
IUPAC Name2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)
SMILESCCCC(C)([CH-]NCC)c1ccc2occc2c1.[Ru+]
InChIInChI=1S/C16H22NO.Ru/c1-4-9-16(3,12-17-5-2)14-6-7-15-13(11-14)8-10-18-15;/h6-8,10-12,17H,4-5,9H2,1-3H3;/q-1;+1
InChIKeySPDMPCPVZVKMBQ-UHFFFAOYSA-N
XLogP4.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.26
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

3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 166892377
2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine
CID 168924156
3-(1-benzofuran-5-yl)-2-(ethylamino)heptane-1,3-diol
CID 163422710
3-(1-benzofuran-5-yl)-4,4-dichloro-2-(ethylamino)butane-1,3-diol
CID 163660314
3-(1-benzofuran-5-yl)-4,4,4-trichloro-2-(ethylamino)-3-methylbutan-1-ol
CID 166892759
5-hex-1-enyl-1-benzofuran
CID 57039277
2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine
CID 83835621
3-(1-benzofuran-5-yl)-2-(methylamino)heptan-3-ol;2-(1-benzofuran-5-yl)-1,1,1-trichloro-3-(methylamino)butan-2-ol;fluoromethane
CID 168926057
3-(1-benzofuran-5-yl)-4-chloro-3-methyl-2-(methylamino)butan-1-ol
CID 166892730
3-(1-benzofuran-5-yl)-3-fluoro-N-methylpentan-2-amine
CID 163640119
2-(1-benzofuran-5-yl)-1,1-dichloro-3-(methylamino)butan-2-ol
CID 166892525
2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine
CID 168924203

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)?
The IUPAC name of 2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+) (CID 168924316) is 2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+).
What is the SMILES notation for 2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)?
The canonical SMILES for 2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+) is CCCC(C)([CH-]NCC)c1ccc2occc2c1.[Ru+].
What is the InChIKey of 2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)?
The InChIKey is SPDMPCPVZVKMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NO.Ru/c1-4-9-16(3,12-17-5-2)14-6-7-15-13(11-14)8-10-18-15;/h6-8,10-12,17H,4-5,9H2,1-3H3;/q-1;+1.
What are the key properties of 2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)?
2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+) has a molecular weight of 345.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+) is sourced from PubChem (CID 168924316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).