1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron

C31H31FeNSi-6 — CID 175020123

IUPAC1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron
SMILESCN(C)C[c-]1cccc1.[Fe].c1ccc([Si](c2ccccc2)(c2ccccc2)[c-]2[cH-][cH-][cH-][cH-]2)cc1
InChIInChI=1S/C23H19Si.C8H12N.Fe/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-9(2)7-8-5-3-4-6-8;/h1-19H;3-6H,7H2,1-2H3;/q-5;-1;
InChIKeyYOALJOFMMYGXAC-UHFFFAOYSA-N
MW501.53 g/mol
LogP4.25
Rot. Bonds6

About 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron

1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron (PubChem CID 175020123) has the molecular formula C31H31FeNSi-6 and a molecular weight of 501.53 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron
PubChem CID175020123
Molecular FormulaC31H31FeNSi-6
Molecular Weight501.53 g/mol
Exact Mass501.16
IUPAC Name1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron
SMILESCN(C)C[c-]1cccc1.[Fe].c1ccc([Si](c2ccccc2)(c2ccccc2)[c-]2[cH-][cH-][cH-][cH-]2)cc1
InChIInChI=1S/C23H19Si.C8H12N.Fe/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-9(2)7-8-5-3-4-6-8;/h1-19H;3-6H,7H2,1-2H3;/q-5;-1;
InChIKeyYOALJOFMMYGXAC-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron (CID 175020123) is 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron is CN(C)C[c-]1cccc1.[Fe].c1ccc([Si](c2ccccc2)(c2ccccc2)[c-]2[cH-][cH-][cH-][cH-]2)cc1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron?
The InChIKey is YOALJOFMMYGXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Si.C8H12N.Fe/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;1-9(2)7-8-5-3-4-6-8;/h1-19H;3-6H,7H2,1-2H3;/q-5;-1;.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron?
1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron has a molecular weight of 501.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;cyclopentyl(triphenyl)silane;iron is sourced from PubChem (CID 175020123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).