cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron

C16H24FeN2-6 — CID 87285163

IUPACcyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron
SMILESCN(C)Cc1ccc[c-]1CN(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C11H19N2.C5H5.Fe/c1-12(2)8-10-6-5-7-11(10)9-13(3)4;1-2-4-5-3-1;/h5-7H,8-9H2,1-4H3;1-5H;/q-1;-5;
InChIKeyZIRCYFDHISWDIH-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.93
Rot. Bonds4

About cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron

cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron (PubChem CID 87285163) has the molecular formula C16H24FeN2-6 and a molecular weight of 300.23 g/mol. Its IUPAC name is cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron.

Molecular Properties

Compound Namecyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron
PubChem CID87285163
Molecular FormulaC16H24FeN2-6
Molecular Weight300.23 g/mol
Exact Mass300.13
IUPAC Namecyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron
SMILESCN(C)Cc1ccc[c-]1CN(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C11H19N2.C5H5.Fe/c1-12(2)8-10-6-5-7-11(10)9-13(3)4;1-2-4-5-3-1;/h5-7H,8-9H2,1-4H3;1-5H;/q-1;-5;
InChIKeyZIRCYFDHISWDIH-UHFFFAOYSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron?
The IUPAC name of cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron (CID 87285163) is cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron.
What is the SMILES notation for cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron?
The canonical SMILES for cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron is CN(C)Cc1ccc[c-]1CN(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron?
The InChIKey is ZIRCYFDHISWDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2.C5H5.Fe/c1-12(2)8-10-6-5-7-11(10)9-13(3)4;1-2-4-5-3-1;/h5-7H,8-9H2,1-4H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron?
cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron has a molecular weight of 300.23 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;iron is sourced from PubChem (CID 87285163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).