5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine

C19H37N3Si2 — CID 87429713

IUPAC5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine
SMILES[H]/N=C(/C(/C(=N/[H])C(CC)[Si](C)(C)C)n1cccc1)C(CC)[Si](C)(C)C
InChIInChI=1S/C19H37N3Si2/c1-9-15(23(3,4)5)17(20)19(22-13-11-12-14-22)18(21)16(10-2)24(6,7)8/h11-16,19-21H,9-10H2,1-8H3/b20-17+,21-18+
InChIKeyFWUSMXPJFFCYMT-PHEFWILJSA-N
MW363.70 g/mol
LogP6.31
Rot. Bonds9

About 5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine

5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine (PubChem CID 87429713) has the molecular formula C19H37N3Si2 and a molecular weight of 363.70 g/mol. Its IUPAC name is 5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine.

Molecular Properties

Compound Name5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine
PubChem CID87429713
Molecular FormulaC19H37N3Si2
Molecular Weight363.70 g/mol
Exact Mass363.25
IUPAC Name5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine
SMILES[H]/N=C(/C(/C(=N/[H])C(CC)[Si](C)(C)C)n1cccc1)C(CC)[Si](C)(C)C
InChIInChI=1S/C19H37N3Si2/c1-9-15(23(3,4)5)17(20)19(22-13-11-12-14-22)18(21)16(10-2)24(6,7)8/h11-16,19-21H,9-10H2,1-8H3/b20-17+,21-18+
InChIKeyFWUSMXPJFFCYMT-PHEFWILJSA-N
XLogP6.31
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.70
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine?
The IUPAC name of 5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine (CID 87429713) is 5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine.
What is the SMILES notation for 5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine?
The canonical SMILES for 5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine is [H]/N=C(/C(/C(=N/[H])C(CC)[Si](C)(C)C)n1cccc1)C(CC)[Si](C)(C)C.
What is the InChIKey of 5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine?
The InChIKey is FWUSMXPJFFCYMT-PHEFWILJSA-N. The full InChI is InChI=1S/C19H37N3Si2/c1-9-15(23(3,4)5)17(20)19(22-13-11-12-14-22)18(21)16(10-2)24(6,7)8/h11-16,19-21H,9-10H2,1-8H3/b20-17+,21-18+.
What are the key properties of 5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine?
5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine has a molecular weight of 363.70 g/mol, XLogP of 6.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-yl-3,7-bis(trimethylsilyl)nonane-4,6-diimine is sourced from PubChem (CID 87429713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).