1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese

C22H26MnN- — CID 11986694

IUPAC1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese
SMILESCN(C)CCC[c-]1cccc1.[Mn].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H16N.Mn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-11(2)9-5-8-10-6-3-4-7-10;/h1-10H;3-4,6-7H,5,8-9H2,1-2H3;/q;-1;
InChIKeyBGEOGVBXYWOIHQ-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.25
Rot. Bonds5

About 1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese

1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese (PubChem CID 11986694) has the molecular formula C22H26MnN- and a molecular weight of 359.40 g/mol. Its IUPAC name is 1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese.

Molecular Properties

Compound Name1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese
PubChem CID11986694
Molecular FormulaC22H26MnN-
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese
SMILESCN(C)CCC[c-]1cccc1.[Mn].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H16N.Mn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-11(2)9-5-8-10-6-3-4-7-10;/h1-10H;3-4,6-7H,5,8-9H2,1-2H3;/q;-1;
InChIKeyBGEOGVBXYWOIHQ-UHFFFAOYSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese?
The IUPAC name of 1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese (CID 11986694) is 1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese.
What is the SMILES notation for 1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese?
The canonical SMILES for 1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese is CN(C)CCC[c-]1cccc1.[Mn].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese?
The InChIKey is BGEOGVBXYWOIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H16N.Mn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-11(2)9-5-8-10-6-3-4-7-10;/h1-10H;3-4,6-7H,5,8-9H2,1-2H3;/q;-1;.
What are the key properties of 1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese?
1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese has a molecular weight of 359.40 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese is sourced from PubChem (CID 11986694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).